Diff of the two buildlogs: -- --- b1/build.log 2024-01-08 07:11:07.098549102 +0000 +++ b2/build.log 2024-01-08 07:58:21.349175342 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Jan 7 18:28:54 -12 2024 -I: pbuilder-time-stamp: 1704695334 +I: Current time: Mon Feb 10 03:34:11 +14 2025 +I: pbuilder-time-stamp: 1739108051 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bookworm-reproducible-base.tgz] I: copying local configuration @@ -28,49 +28,81 @@ dpkg-source: info: applying testsuite_output.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3614462/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1567470/tmp/hooks/D01_modify_environment starting +debug: Running on codethink01-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Feb 9 13:34 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/1567470/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1567470/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="15" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.15(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='bookworm' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=bookworm + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='23d260c130ce49d88cd05144a25ee3a8' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3614462' - PS1='# ' - PS2='> ' + INVOCATION_ID=82fc1c8637584cc1a0f29b7ce0b97e6e + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=1567470 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Vmj83KQJ/pbuilderrc_vPHr --distribution bookworm --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Vmj83KQJ/b1 --logfile b1/build.log cp2k_2023.1-2.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.104:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Vmj83KQJ/pbuilderrc_02gJ --distribution bookworm --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Vmj83KQJ/b2 --logfile b2/build.log cp2k_2023.1-2.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.104:3128 I: uname -a - Linux codethink04-arm64 6.1.0-17-cloud-arm64 #1 SMP Debian 6.1.69-1 (2023-12-30) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-17-cloud-arm64 #1 SMP Debian 6.1.69-1 (2023-12-30) aarch64 GNU/Linux I: ls -l /bin total 7104 -rwxr-xr-x 1 root root 1346480 Apr 23 2023 bash @@ -128,15 +160,15 @@ -rwxr-xr-x 1 root root 68456 Sep 20 2022 readlink -rwxr-xr-x 1 root root 68592 Sep 20 2022 rm -rwxr-xr-x 1 root root 68480 Sep 20 2022 rmdir - -rwxr-xr-x 1 root root 68392 Jul 28 23:46 run-parts + -rwxr-xr-x 1 root root 68392 Jul 28 2023 run-parts -rwxr-xr-x 1 root root 134536 Jan 5 2023 sed - lrwxrwxrwx 1 root root 4 Jan 5 2023 sh -> dash + lrwxrwxrwx 1 root root 9 Feb 9 13:34 sh -> /bin/bash -rwxr-xr-x 1 root root 68432 Sep 20 2022 sleep -rwxr-xr-x 1 root root 134088 Sep 20 2022 stty -rwsr-xr-x 1 root root 133312 Mar 23 2023 su -rwxr-xr-x 1 root root 68448 Sep 20 2022 sync -rwxr-xr-x 1 root root 539896 Apr 6 2023 tar - -rwxr-xr-x 1 root root 67904 Jul 28 23:46 tempfile + -rwxr-xr-x 1 root root 67904 Jul 28 2023 tempfile -rwxr-xr-x 1 root root 134160 Sep 20 2022 touch -rwxr-xr-x 1 root root 68384 Sep 20 2022 true -rwxr-xr-x 1 root root 67664 Mar 23 2023 ulockmgr_server @@ -156,7 +188,7 @@ -rwxr-xr-x 1 root root 2206 Apr 10 2022 zless -rwxr-xr-x 1 root root 1842 Apr 10 2022 zmore -rwxr-xr-x 1 root root 4577 Apr 10 2022 znew -I: user script /srv/workspace/pbuilder/3614462/tmp/hooks/D02_print_environment finished +I: user script /srv/workspace/pbuilder/1567470/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -385,7 +417,7 @@ Get: 157 http://deb.debian.org/debian bookworm/main arm64 libsymspg-dev arm64 2.0.2-1+b3 [197 kB] Get: 158 http://deb.debian.org/debian bookworm/main arm64 libxc9 arm64 5.2.3-1 [3570 kB] Get: 159 http://deb.debian.org/debian bookworm/main arm64 libxc-dev arm64 5.2.3-1 [7219 kB] -Fetched 163 MB in 2s (97.4 MB/s) +Fetched 163 MB in 1s (205 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package m4. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 18171 files and directories currently installed.) @@ -1206,7 +1238,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/cp2k-2023.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../cp2k_2023.1-2_source.changes +I: user script /srv/workspace/pbuilder/1567470/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for bookworm +I: user script /srv/workspace/pbuilder/1567470/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/cp2k-2023.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../cp2k_2023.1-2_source.changes dpkg-buildpackage: info: source package cp2k dpkg-buildpackage: info: source version 2023.1-2 dpkg-buildpackage: info: source distribution unstable @@ -1332,10 +1368,10 @@ mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/opencl/acc_opencl.c /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:264: update target 'opencl_libsmm.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/opencl/smm/opencl_libsmm.c mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/opencl/smm/opencl_libsmm.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_kinds.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_kinds.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_hip_profiling.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/hip/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_hip_profiling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_btree.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_btree.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_kinds.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_kinds.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_hip_profiling.mod' due to: dbcsr_hip_profiling.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/hip/dbcsr_hip_profiling.F true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_types.mod' due to: dbcsr_mm_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_types.F @@ -1403,56 +1439,55 @@ /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_machine.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_kinds.mod dbcsr_machine_internal.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_machine.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_machine.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_array_sort.mod' due to: dbcsr_array_sort.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_array_sort.fypp dbcsr_kinds.mod -true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_machine.mod' due to: dbcsr_machine.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_kinds.mod dbcsr_machine_internal.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_base_hooks.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_kinds.mod dbcsr_machine.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_base_hooks.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_machine.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_base_hooks.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_array_sort.mod' due to: dbcsr_array_sort.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_array_sort.fypp dbcsr_kinds.mod +true mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_base_hooks.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_base_hooks.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_base_hooks.mod' due to: dbcsr_base_hooks.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_kinds.mod dbcsr_machine.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_base_hooks.mod' due to: dbcsr_base_hooks.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_machine.mod dbcsr_kinds.mod true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_array_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_array_types.F dbcsr_array_types.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_stream.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F dbcsr_acc_stream.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_toollib.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_sort.mod dbcsr_base_hooks.mod dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_toollib.F dbcsr_toollib.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_min_heap.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_min_heap.F dbcsr_min_heap.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mpiwrap.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_machine.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F dbcsr_mpiwrap.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_device.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_device.F dbcsr_acc_device.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mpiwrap.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod -python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F dbcsr_mpiwrap.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_min_heap.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_min_heap.F dbcsr_min_heap.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_toollib.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_array_sort.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_toollib.F dbcsr_toollib.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_timings.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F dbcsr_acc_timings.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_list_callstackentry.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F dbcsr_list_callstackentry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_array_types.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_dict.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_dict.fypp /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_dict.F dbcsr_dict.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_list_routinestat.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F dbcsr_list_routinestat.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_cuda_profiling.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F dbcsr_cuda_profiling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_device.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_device.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_stream.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_stream.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_timings.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_timings.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_toollib.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_toollib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_array_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_min_heap.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_min_heap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dict.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_dict.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_cuda_profiling.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/cuda/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_cuda_profiling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list_callstackentry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_device.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_device.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list_routinestat.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_list_routinereport.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F dbcsr_list_routinereport.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_files.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_files.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_timings.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_timings.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list_callstackentry.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_files.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_files.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_files.F dbcsr_files.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list_routinestat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dict.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_dict.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mpiwrap.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mpiwrap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_cuda_profiling.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/cuda/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_cuda_profiling.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_print_messages.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_print_messages.F dbcsr_print_messages.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mpiwrap.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mpiwrap.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_iter_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod -python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_iter_types.F dbcsr_iter_types.F90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_min_heap.F:284:13: 284 | IF (my_value .LT. parent_value) THEN @@ -1463,100 +1498,101 @@ 266 | INTEGER(kind=valt) :: my_value, parent_value | ^ note: 'my_value' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list_routinereport.F90 +python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_iter_types.F dbcsr_iter_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_files.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_files.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_print_messages.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_print_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list_routinereport.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_allocate_wrap.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F dbcsr_allocate_wrap.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_array_types.mod' due to: dbcsr_array_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_stream.mod' due to: dbcsr_acc_stream.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_toollib.mod' due to: dbcsr_toollib.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_sort.mod dbcsr_base_hooks.mod dbcsr_kinds.mod -true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_device.mod' due to: dbcsr_acc_device.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_hostmem.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_stream.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F dbcsr_acc_hostmem.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iter_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_iter_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_print_messages.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_print_messages.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_toollib.mod' due to: dbcsr_toollib.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_array_sort.mod dbcsr_kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_hostmem.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_hostmem.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_list_routinestat.mod' due to: dbcsr_list_routinestat.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod +true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_cuda_profiling.mod' due to: dbcsr_cuda_profiling.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_global.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_global.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_toollib.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_global.F dbcsr_tas_global.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iter_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_iter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_allocate_wrap.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_event.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_stream.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_event.F dbcsr_acc_event.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_hostmem.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_hostmem.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_global.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_global.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_allocate_wrap.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_devmem.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_stream.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F dbcsr_acc_devmem.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_global.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_global.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_min_heap.mod' due to: dbcsr_min_heap.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_list_callstackentry.mod' due to: dbcsr_list_callstackentry.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_list_routinestat.mod' due to: dbcsr_list_routinestat.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_dict.mod' due to: dbcsr_dict.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_dict.fypp /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_event.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_event.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_list_routinereport.mod' due to: dbcsr_list_routinereport.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_event.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_event.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_iter_types.mod' due to: dbcsr_iter_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_devmem.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_devmem.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_print_messages.mod' due to: dbcsr_print_messages.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_devmem.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_devmem.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_dict.mod' due to: dbcsr_dict.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_dict.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_dict.fypp /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_list_callstackentry.mod' due to: dbcsr_list_callstackentry.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_timings_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_list_callstackentry.mod dbcsr_dict.mod dbcsr_list_routinestat.mod -python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_timings_types.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_event.mod' due to: dbcsr_acc_event.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_stream.mod true +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_timings_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_list_callstackentry.mod dbcsr_dict.mod dbcsr_list_routinestat.mod +python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_timings_types.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_hostmem.mod' due to: dbcsr_acc_hostmem.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_stream.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_timings_types.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_devmem.mod' due to: dbcsr_acc_devmem.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_acc_stream.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_data_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_kinds.mod dbcsr_acc_event.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_data_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_types.F dbcsr_data_types.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_files.mod' due to: dbcsr_files.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_files.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_timings_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_data_types.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_timings_types.mod' due to: dbcsr_timings_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_list_callstackentry.mod dbcsr_dict.mod dbcsr_list_routinestat.mod true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_list_timerenv.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_types.mod dbcsr_base_hooks.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F dbcsr_list_timerenv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_data_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list_timerenv.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_data_types.mod' due to: dbcsr_data_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_kinds.mod dbcsr_acc_event.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_data_types.mod' due to: dbcsr_data_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_files.mod' due to: dbcsr_files.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_files.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list_timerenv.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_global.mod' due to: dbcsr_tas_global.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod dbcsr_toollib.mod true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_list_timerenv.mod' due to: dbcsr_list_timerenv.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_types.mod dbcsr_base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_list.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod dbcsr_base_hooks.mod dbcsr_list_routinereport.mod dbcsr_list_timerenv.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_list.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_list_callstackentry.mod dbcsr_base_hooks.mod dbcsr_list_routinestat.mod dbcsr_list_timerenv.mod dbcsr_list_routinereport.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.F dbcsr_list.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_global.mod' due to: dbcsr_tas_global.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_kinds.mod -true mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_list.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_list.mod' due to: dbcsr_list.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod dbcsr_base_hooks.mod dbcsr_list_routinereport.mod dbcsr_list_timerenv.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_list.mod' due to: dbcsr_list.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_list.fypp dbcsr_timings_base_type.mod dbcsr_list_callstackentry.mod dbcsr_base_hooks.mod dbcsr_list_routinestat.mod dbcsr_list_timerenv.mod dbcsr_list_routinereport.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_timings.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_kinds.mod dbcsr_cuda_profiling.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_hip_profiling.mod dbcsr_acc_devmem.mod dbcsr_list.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_timings.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_machine.mod dbcsr_acc_devmem.mod dbcsr_hip_profiling.mod dbcsr_dict.mod dbcsr_kinds.mod dbcsr_cuda_profiling.mod dbcsr_list.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings.F dbcsr_timings.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_timings.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_btree.mod' due to: dbcsr_btree.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_btree.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_btree.fypp true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_array_types.mod dbcsr_data_types.mod dbcsr_btree.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_array_types.mod dbcsr_data_types.mod dbcsr_kinds.mod dbcsr_btree.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_timings.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_types.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_types.mod' due to: dbcsr_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_array_types.mod dbcsr_data_types.mod dbcsr_btree.mod dbcsr_kinds.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_timings.mod' due to: dbcsr_timings.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_machine.mod dbcsr_acc_devmem.mod dbcsr_hip_profiling.mod dbcsr_dict.mod dbcsr_kinds.mod dbcsr_cuda_profiling.mod dbcsr_list.mod +true +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_types.mod' due to: dbcsr_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_array_types.mod dbcsr_data_types.mod dbcsr_kinds.mod dbcsr_btree.mod true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_blas_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F dbcsr_blas_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_types.F dbcsr_tas_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_blas_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_blas_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_timings.mod' due to: dbcsr_timings.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_kinds.mod dbcsr_cuda_profiling.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_hip_profiling.mod dbcsr_acc_devmem.mod dbcsr_list.mod -true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_blas_operations.mod' due to: dbcsr_blas_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_types.mod' due to: dbcsr_tas_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_types.mod' due to: dbcsr_tas_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_kinds.mod true /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F:79:45: @@ -1613,111 +1649,113 @@ /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_index.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F dbcsr_tensor_index.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_index.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_index.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mpiwrap.mod' due to: dbcsr_mpiwrap.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_machine.mod dbcsr_kinds.mod +true +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_config.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_string_utilities.mod dbcsr_acc_device.mod dbcsr_kinds.mod +python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_config.F dbcsr_config.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_timings_report.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_types.mod dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_timings.mod dbcsr_mpiwrap.mod dbcsr_files.mod dbcsr_toollib.mod dbcsr_dict.mod dbcsr_list_routinereport.mod dbcsr_kinds.mod dbcsr_list.mod +python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_report.F dbcsr_timings_report.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_index.mod' due to: dbcsr_tensor_index.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_kinds.mod true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_array_list_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F dbcsr_array_list_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_array_list_methods.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mpiwrap.mod' due to: dbcsr_mpiwrap.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_config.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_device.mod dbcsr_string_utilities.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod -python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_config.F dbcsr_config.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_timings_report.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_timings.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_list_routinereport.mod dbcsr_files.mod dbcsr_mpiwrap.mod dbcsr_list.mod -python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_report.F dbcsr_timings_report.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_config.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_config.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_report.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_timings_report.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_array_list_methods.mod' due to: dbcsr_array_list_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_array_list_methods.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_timings_report.mod' due to: dbcsr_timings_report.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_types.mod dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_timings.mod dbcsr_mpiwrap.mod dbcsr_files.mod dbcsr_toollib.mod dbcsr_dict.mod dbcsr_list_routinereport.mod dbcsr_kinds.mod dbcsr_list.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_config.mod' due to: dbcsr_config.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_device.mod dbcsr_string_utilities.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_config.mod' due to: dbcsr_config.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_config.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_string_utilities.mod dbcsr_acc_device.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_ptr_util.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_acc_hostmem.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_ptr_util.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mpiwrap.mod dbcsr_acc_hostmem.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_ptr_util.F dbcsr_ptr_util.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_init.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_init.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_device.mod dbcsr_config.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_init.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_init.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_device.mod dbcsr_base_hooks.mod dbcsr_config.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_init.F dbcsr_acc_init.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mm_types.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_acc_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_acc_stream.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F dbcsr_acc_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_ptr_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_ptr_util.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_timings_report.mod' due to: dbcsr_timings_report.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_timings.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_list_routinereport.mod dbcsr_files.mod dbcsr_mpiwrap.mod dbcsr_list.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_acc_operations.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_init.mod' due to: dbcsr_acc_init.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_init.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_device.mod dbcsr_base_hooks.mod dbcsr_config.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_init.mod' due to: dbcsr_acc_init.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/acc/dbcsr_acc_init.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_acc_device.mod dbcsr_config.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_operations.mod' due to: dbcsr_acc_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_acc_stream.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_acc_operations.mod' due to: dbcsr_acc_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mm_types.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_array_list_methods.mod' due to: dbcsr_array_list_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_ptr_util.mod' due to: dbcsr_ptr_util.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_acc_hostmem.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_ptr_util.mod' due to: dbcsr_ptr_util.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mpiwrap.mod dbcsr_acc_hostmem.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_data_methods_low.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_kinds.mod dbcsr_acc_event.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_data_methods_low.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F dbcsr_data_methods_low.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_methods_low.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_data_methods_low.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_data_methods_low.mod' due to: dbcsr_data_methods_low.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_kinds.mod dbcsr_acc_event.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_data_methods_low.mod' due to: dbcsr_data_methods_low.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mem_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mem_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_data_methods_low.mod dbcsr_acc_stream.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_mem_methods.F dbcsr_mem_methods.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_block_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_block_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_data_methods_low.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_operations.F dbcsr_block_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_block_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_block_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mem_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mem_methods.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mem_methods.mod' due to: dbcsr_mem_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_stream.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_block_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_block_operations.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mem_methods.mod' due to: dbcsr_mem_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_data_methods_low.mod dbcsr_acc_stream.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_data_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_mem_methods.mod dbcsr_data_methods_low.mod dbcsr_acc_event.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_data_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_data_methods_low.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods.F dbcsr_data_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_data_methods.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_data_methods.mod' due to: dbcsr_data_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_mem_methods.mod dbcsr_data_methods_low.mod dbcsr_acc_event.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_data_methods.mod' due to: dbcsr_data_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_data_methods_low.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_acc_event.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_btree.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_btree.mod dbcsr_mpiwrap.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_methods.F dbcsr_methods.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_hostdrv.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mm_types.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_hostdrv.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F dbcsr_mm_hostdrv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_hostdrv.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_hostdrv.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_methods.mod' due to: dbcsr_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_btree.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_methods.mod' due to: dbcsr_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_btree.mod dbcsr_mpiwrap.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_kinds.mod true /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mp_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_mpiwrap.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F dbcsr_mp_methods.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_log_handling.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_iter_types.mod dbcsr_types.mod dbcsr_timings.mod dbcsr_string_utilities.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_files.mod dbcsr_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_log_handling.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_iter_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_string_utilities.mod dbcsr_methods.mod dbcsr_files.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_log_handling.F dbcsr_log_handling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mp_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mp_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_log_handling.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_log_handling.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_hostdrv.mod' due to: dbcsr_mm_hostdrv.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mm_types.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_hostdrv.mod' due to: dbcsr_mm_hostdrv.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_log_handling.mod' due to: dbcsr_log_handling.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_iter_types.mod dbcsr_types.mod dbcsr_timings.mod dbcsr_string_utilities.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_files.mod dbcsr_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_log_handling.mod' due to: dbcsr_log_handling.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_iter_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_string_utilities.mod dbcsr_methods.mod dbcsr_files.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_error_handling.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_log_handling.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_print_messages.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_error_handling.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_base_hooks.mod dbcsr_print_messages.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_mpiwrap.mod dbcsr_kinds.mod dbcsr_log_handling.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_error_handling.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mp_methods.mod' due to: dbcsr_mp_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_mpiwrap.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_dist_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_min_heap.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_dist_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_min_heap.mod dbcsr_mp_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F dbcsr_dist_methods.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mp_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mp_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F dbcsr_mp_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_error_handling.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_error_handling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_dist_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mp_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mp_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_error_handling.mod' due to: dbcsr_error_handling.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_log_handling.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_print_messages.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_error_handling.mod' due to: dbcsr_error_handling.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_base_hooks.mod dbcsr_print_messages.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_mpiwrap.mod dbcsr_kinds.mod dbcsr_log_handling.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_dist_methods.mod' due to: dbcsr_dist_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_min_heap.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_dist_methods.mod' due to: dbcsr_dist_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_min_heap.mod dbcsr_mp_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_iterator_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_string_utilities.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_methods.mod -python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F dbcsr_iterator_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_dist_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_min_heap.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_dist_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_min_heap.mod dbcsr_mp_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F dbcsr_dist_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_dist_util.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_dist_util.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_util.F dbcsr_dist_util.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_iterator_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_string_utilities.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod +python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F dbcsr_iterator_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_dist_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_dist_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iterator_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_iterator_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_iterator_operations.mod' due to: dbcsr_iterator_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_string_utilities.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_iterator_operations.mod' due to: dbcsr_iterator_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_string_utilities.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_dist_operations.mod' due to: dbcsr_dist_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_min_heap.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_dist_operations.mod' due to: dbcsr_dist_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_min_heap.mod dbcsr_mp_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_index_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_dist_methods.mod dbcsr_methods.mod dbcsr_dist_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_index_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_operations.mod dbcsr_ptr_util.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_index_operations.F dbcsr_index_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_dist_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_methods.mod dbcsr_dist_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_dist_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_dist_operations.mod dbcsr_mp_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F dbcsr_mm_dist_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_index_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_index_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_dist_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_dist_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_dist_util.mod' due to: dbcsr_dist_util.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_dist_util.mod' due to: dbcsr_dist_util.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod +true +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_dist_operations.mod' due to: dbcsr_mm_dist_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_dist_operations.mod dbcsr_mp_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_dist_methods.mod true /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_operations.F:939:61: @@ -1734,18 +1772,16 @@ 835 | INTEGER, DIMENSION(2) :: dst_ub, src_ub | ^ Warning: 'dst_ub[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_dist_operations.mod' due to: dbcsr_mm_dist_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_methods.mod dbcsr_dist_operations.mod -true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mp_operations.mod' due to: dbcsr_mp_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mp_operations.mod' due to: dbcsr_mp_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_index_operations.mod' due to: dbcsr_index_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_dist_methods.mod dbcsr_methods.mod dbcsr_dist_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_index_operations.mod' due to: dbcsr_index_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_operations.mod dbcsr_ptr_util.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_util.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_util.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_kinds.mod dbcsr_index_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_util.F dbcsr_tas_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_util.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_util.mod' due to: dbcsr_tas_util.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_util.mod' due to: dbcsr_tas_util.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_kinds.mod dbcsr_index_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_split.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tas_global.mod dbcsr_tas_util.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_split.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_tas_util.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_split.F dbcsr_tas_split.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_split.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_split.F90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_split.F:531:44: @@ -1788,29 +1824,29 @@ 478 | INTEGER, DIMENSION(2) :: pcoord, pcoord_group | ^ note: 'pcoord_group[0]' was declared here -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_split.mod' due to: dbcsr_tas_split.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tas_global.mod dbcsr_tas_util.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_split.mod' due to: dbcsr_tas_split.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_base_hooks.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_tas_util.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_block_operations.mod' due to: dbcsr_block_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_block_operations.mod' due to: dbcsr_block_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_data_methods_low.mod dbcsr_ptr_util.mod dbcsr_acc_devmem.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_data_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_block_operations.mod dbcsr_dist_util.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_data_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_operations.F dbcsr_data_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_accdrv.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mm_types.mod dbcsr_mem_methods.mod dbcsr_toollib.mod dbcsr_acc_hostmem.mod dbcsr_acc_event.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_acc_operations.mod dbcsr_block_operations.mod dbcsr_acc_devmem.mod dbcsr_acc_stream.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_accdrv.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_acc_operations.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_acc_hostmem.mod dbcsr_data_methods.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_acc_devmem.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F dbcsr_mm_accdrv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_accdrv.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_accdrv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_data_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_accdrv.mod' due to: dbcsr_mm_accdrv.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mm_types.mod dbcsr_mem_methods.mod dbcsr_toollib.mod dbcsr_acc_hostmem.mod dbcsr_acc_event.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_acc_operations.mod dbcsr_block_operations.mod dbcsr_acc_devmem.mod dbcsr_acc_stream.mod dbcsr_data_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_accdrv.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_accdrv.F90 +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_accdrv.mod' due to: dbcsr_mm_accdrv.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_acc_operations.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_acc_hostmem.mod dbcsr_data_methods.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_acc_devmem.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_sched.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mm_types.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_mm_hostdrv.mod dbcsr_base_hooks.mod dbcsr_block_operations.mod dbcsr_mpiwrap.mod dbcsr_mm_accdrv.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_sched.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mpiwrap.mod dbcsr_mm_accdrv.mod dbcsr_mm_hostdrv.mod dbcsr_data_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F dbcsr_mm_sched.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_sched.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_sched.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_data_operations.mod' due to: dbcsr_data_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_block_operations.mod dbcsr_dist_util.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_data_operations.mod' due to: dbcsr_data_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_dist_util.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_work_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_btree.mod dbcsr_iterator_operations.mod dbcsr_mem_methods.mod dbcsr_toollib.mod dbcsr_string_utilities.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_ptr_util.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_data_operations.mod dbcsr_methods.mod dbcsr_dist_util.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_work_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_index_operations.mod dbcsr_dist_util.mod dbcsr_mem_methods.mod dbcsr_btree.mod dbcsr_string_utilities.mod dbcsr_ptr_util.mod dbcsr_data_operations.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/work/dbcsr_work_operations.F dbcsr_work_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_work_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/work/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_work_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_sched.mod' due to: dbcsr_mm_sched.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mm_types.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_mm_hostdrv.mod dbcsr_base_hooks.mod dbcsr_block_operations.mod dbcsr_mpiwrap.mod dbcsr_mm_accdrv.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_sched.mod' due to: dbcsr_mm_sched.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_mpiwrap.mod dbcsr_mm_accdrv.mod dbcsr_mm_hostdrv.mod dbcsr_data_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_csr.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_mm_types.mod dbcsr_mm_sched.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_block_operations.mod dbcsr_dist_util.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_csr.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 dbcsr_array_types.mod dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_mm_sched.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F dbcsr_mm_csr.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_csr.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_csr.F90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/work/dbcsr_work_operations.F:950:10: @@ -1823,35 +1859,35 @@ 766 | LOGICAL :: can_quick, fake_row_p, sort_data, spawn | ^ note: 'fake_row_p' was declared here -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_csr.mod' due to: dbcsr_mm_csr.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_mm_types.mod dbcsr_mm_sched.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_block_operations.mod dbcsr_dist_util.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_csr.mod' due to: dbcsr_mm_csr.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 dbcsr_array_types.mod dbcsr_mm_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_dist_util.mod dbcsr_mm_sched.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_multrec.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_mm_csr.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_multrec.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_mm_csr.mod dbcsr_config.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F dbcsr_mm_multrec.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_multrec.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_multrec.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_work_operations.mod' due to: dbcsr_work_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_btree.mod dbcsr_iterator_operations.mod dbcsr_mem_methods.mod dbcsr_toollib.mod dbcsr_string_utilities.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_index_operations.mod dbcsr_ptr_util.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_data_operations.mod dbcsr_methods.mod dbcsr_dist_util.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_work_operations.mod' due to: dbcsr_work_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_index_operations.mod dbcsr_dist_util.mod dbcsr_mem_methods.mod dbcsr_btree.mod dbcsr_string_utilities.mod dbcsr_ptr_util.mod dbcsr_data_operations.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_block_access.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_btree.mod dbcsr_work_operations.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_dist_operations.mod dbcsr_mp_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_index_operations.mod dbcsr_methods.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_block_access.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_index_operations.mod dbcsr_work_operations.mod dbcsr_dist_operations.mod dbcsr_mp_methods.mod dbcsr_btree.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_access.F dbcsr_block_access.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_block_access.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_block_access.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_multrec.mod' due to: dbcsr_mm_multrec.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_mm_csr.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_multrec.mod' due to: dbcsr_mm_multrec.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_mm_csr.mod dbcsr_config.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_common.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_mm_multrec.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_acc_event.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_operations.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_common.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_acc_operations.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_common.F dbcsr_mm_common.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_common.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_common.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_common.mod' due to: dbcsr_mm_common.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_mm_multrec.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_acc_event.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_acc_operations.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_acc_stream.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_common.mod' due to: dbcsr_mm_common.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_acc_operations.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_acc_event.mod dbcsr_acc_stream.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_3d.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_iterator_operations.mod dbcsr_acc_device.mod dbcsr_work_operations.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_mm_dist_operations.mod dbcsr_methods.mod dbcsr_mp_operations.mod dbcsr_mm_multrec.mod dbcsr_mem_methods.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_block_operations.mod dbcsr_index_operations.mod dbcsr_mm_common.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_3d.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_mm_common.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mp_methods.mod dbcsr_acc_event.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_acc_device.mod dbcsr_index_operations.mod dbcsr_config.mod dbcsr_mp_operations.mod dbcsr_mpiwrap.mod dbcsr_mm_dist_operations.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F dbcsr_mm_3d.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_3d.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_3d.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_block_access.mod' due to: dbcsr_block_access.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_btree.mod dbcsr_work_operations.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_dist_operations.mod dbcsr_mp_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_index_operations.mod dbcsr_methods.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_block_access.mod' due to: dbcsr_block_access.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_index_operations.mod dbcsr_work_operations.mod dbcsr_dist_operations.mod dbcsr_mp_methods.mod dbcsr_btree.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_ptr_util.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_data_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_blas_operations.mod dbcsr_block_access.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_dist_operations.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_index_operations.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_operations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mp_methods.mod dbcsr_data_operations.mod dbcsr_kinds.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_index_operations.mod dbcsr_config.mod dbcsr_blas_operations.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_operations.F dbcsr_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_test_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_block_access.mod dbcsr_kinds.mod dbcsr_dist_util.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_dist_operations.mod dbcsr_mp_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_blas_operations.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_test_methods.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_dist_operations.mod dbcsr_dist_util.mod dbcsr_blas_operations.mod dbcsr_block_access.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_methods.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_test_methods.F dbcsr_test_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_test_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_test_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_operations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_test_methods.mod' due to: dbcsr_test_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_block_access.mod dbcsr_kinds.mod dbcsr_dist_util.mod dbcsr_base_hooks.mod dbcsr_ptr_util.mod dbcsr_dist_operations.mod dbcsr_mp_methods.mod dbcsr_block_operations.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_blas_operations.mod dbcsr_data_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_test_methods.mod' due to: dbcsr_test_methods.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_dist_operations.mod dbcsr_dist_util.mod dbcsr_blas_operations.mod dbcsr_block_access.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_methods.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod true /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F:1891:63: @@ -1873,41 +1909,41 @@ 1154 | handle1, handle2, icol3D, icol3D_send, ileft_buffer_calc, ileft_buffer_comm, & | ^ note: 'ileft_buffer_calc' was declared here -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_3d.mod' due to: dbcsr_mm_3d.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_iterator_operations.mod dbcsr_acc_device.mod dbcsr_work_operations.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_mm_dist_operations.mod dbcsr_methods.mod dbcsr_mp_operations.mod dbcsr_mm_multrec.mod dbcsr_mem_methods.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_block_operations.mod dbcsr_index_operations.mod dbcsr_mm_common.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_3d.mod' due to: dbcsr_mm_3d.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_mm_common.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mp_methods.mod dbcsr_acc_event.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_acc_device.mod dbcsr_index_operations.mod dbcsr_config.mod dbcsr_mp_operations.mod dbcsr_mpiwrap.mod dbcsr_mm_dist_operations.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_operations.mod' due to: dbcsr_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_ptr_util.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_data_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_blas_operations.mod dbcsr_block_access.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_dist_operations.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_index_operations.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_operations.mod' due to: dbcsr_operations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mp_methods.mod dbcsr_data_operations.mod dbcsr_kinds.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_index_operations.mod dbcsr_config.mod dbcsr_blas_operations.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_toollib.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_transformations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_ptr_util.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_data_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_mp_operations.mod dbcsr_block_access.mod dbcsr_data_methods.mod dbcsr_dist_operations.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_block_operations.mod dbcsr_index_operations.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_transformations.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_data_operations.mod dbcsr_kinds.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_index_operations.mod dbcsr_mp_operations.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_transformations.F dbcsr_transformations.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_base.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_tas_global.mod dbcsr_iterator_operations.mod dbcsr_tas_util.mod dbcsr_work_operations.mod dbcsr_block_access.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_tas_split.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_base.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_data_methods_low.mod dbcsr_block_access.mod dbcsr_operations.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_kinds.mod dbcsr_tas_split.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_tas_util.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_base.F dbcsr_tas_base.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_transformations.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_transformations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_base.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_base.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_base.mod' due to: dbcsr_tas_base.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_tas_global.mod dbcsr_iterator_operations.mod dbcsr_tas_util.mod dbcsr_work_operations.mod dbcsr_block_access.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_tas_split.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_base.mod' due to: dbcsr_tas_base.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_data_methods_low.mod dbcsr_block_access.mod dbcsr_operations.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_kinds.mod dbcsr_tas_split.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_tas_util.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_reshape_ops.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_mpiwrap.mod dbcsr_dist_methods.mod dbcsr_data_methods_low.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_methods.mod dbcsr_tas_global.mod dbcsr_block_access.mod dbcsr_data_methods.mod dbcsr_tas_split.mod dbcsr_dist_operations.mod dbcsr_tas_util.mod dbcsr_kinds.mod dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_reshape_ops.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_work_operations.mod dbcsr_data_methods_low.mod dbcsr_operations.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_data_methods.mod dbcsr_tas_util.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_tas_split.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F dbcsr_tas_reshape_ops.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_io.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_tas_base.mod dbcsr_tas_split.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_io.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_tas_base.mod dbcsr_tas_split.mod dbcsr_kinds.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_reshape_ops.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_io.mod' due to: dbcsr_tas_io.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_tas_base.mod dbcsr_tas_split.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_io.mod' due to: dbcsr_tas_io.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_tas_base.mod dbcsr_tas_split.mod dbcsr_kinds.mod dbcsr_dist_methods.mod true /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F:292:71: 292 | TYPE(block_buffer_type), ALLOCATABLE, DIMENSION(:) :: buffer_recv, buffer_send | ^ Warning: 'buffer_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_reshape_ops.mod' due to: dbcsr_tas_reshape_ops.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_mpiwrap.mod dbcsr_dist_methods.mod dbcsr_data_methods_low.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_methods.mod dbcsr_tas_global.mod dbcsr_block_access.mod dbcsr_data_methods.mod dbcsr_tas_split.mod dbcsr_dist_operations.mod dbcsr_tas_util.mod dbcsr_kinds.mod dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_reshape_ops.mod' due to: dbcsr_tas_reshape_ops.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_work_operations.mod dbcsr_data_methods_low.mod dbcsr_operations.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_data_methods.mod dbcsr_tas_util.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_tas_split.mod dbcsr_dist_methods.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_transformations.mod' due to: dbcsr_transformations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_ptr_util.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_data_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_mp_operations.mod dbcsr_block_access.mod dbcsr_data_methods.mod dbcsr_dist_operations.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_block_operations.mod dbcsr_index_operations.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_transformations.mod' due to: dbcsr_transformations.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_data_operations.mod dbcsr_kinds.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_index_operations.mod dbcsr_mp_operations.mod dbcsr_mpiwrap.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_io.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_mp_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_io.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_mp_operations.mod dbcsr_machine.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_transformations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_io.F dbcsr_io.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_csr_conversions.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_block_access.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_csr_conversions.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_block_access.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_methods.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_transformations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F dbcsr_csr_conversions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_csr_conversions.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_csr_conversions.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_csr_conversions.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_csr_conversions.F90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F:862:49: 862 | csr_mat%dbcsr_mapping%dbcsr_row_blk_size = dbcsr_row_block_sizes(dbcsr_mat_nosym) @@ -1938,39 +1974,39 @@ 1075 | cumsum(1) = arr(1) | ^ Warning: 'MEM[(integer(kind=8) *)_352]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_csr_conversions.mod' due to: dbcsr_csr_conversions.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_block_access.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_csr_conversions.mod' due to: dbcsr_csr_conversions.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_block_access.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_methods.mod dbcsr_iterator_operations.mod dbcsr_dist_methods.mod dbcsr_transformations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_io.mod' due to: dbcsr_io.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_mp_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_io.mod' due to: dbcsr_io.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_io.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_work_operations.mod dbcsr_mp_operations.mod dbcsr_machine.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_transformations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_cannon.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_iterator_operations.mod dbcsr_acc_device.mod dbcsr_work_operations.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_io.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mm_dist_operations.mod dbcsr_methods.mod dbcsr_mp_operations.mod dbcsr_mm_multrec.mod dbcsr_mem_methods.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_machine.mod dbcsr_block_operations.mod dbcsr_index_operations.mod dbcsr_mm_common.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm_cannon.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_io.mod dbcsr_mm_common.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_acc_event.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_acc_device.mod dbcsr_index_operations.mod dbcsr_transformations.mod dbcsr_config.mod dbcsr_mp_operations.mod dbcsr_mpiwrap.mod dbcsr_mm_dist_operations.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F dbcsr_mm_cannon.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_cannon.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm_cannon.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_cannon.mod' due to: dbcsr_mm_cannon.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_iterator_operations.mod dbcsr_acc_device.mod dbcsr_work_operations.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_io.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mm_dist_operations.mod dbcsr_methods.mod dbcsr_mp_operations.mod dbcsr_mm_multrec.mod dbcsr_mem_methods.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_machine.mod dbcsr_block_operations.mod dbcsr_index_operations.mod dbcsr_mm_common.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm_cannon.mod' due to: dbcsr_mm_cannon.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_io.mod dbcsr_mm_common.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_acc_event.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_data_methods.mod dbcsr_acc_device.mod dbcsr_index_operations.mod dbcsr_transformations.mod dbcsr_config.mod dbcsr_mp_operations.mod dbcsr_mpiwrap.mod dbcsr_mm_dist_operations.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_methods.mod dbcsr_dist_methods.mod dbcsr_block_operations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_acc_device.mod dbcsr_work_operations.mod dbcsr_string_utilities.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_acc_stream.mod dbcsr_mpiwrap.mod dbcsr_io.mod dbcsr_mm_cannon.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mm_dist_operations.mod dbcsr_methods.mod dbcsr_mm_multrec.mod dbcsr_mem_methods.mod dbcsr_mm_3d.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_mm_sched.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_operations.mod dbcsr_index_operations.mod dbcsr_mm_common.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_mm.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_io.mod dbcsr_mm_common.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mm_sched.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_mem_methods.mod dbcsr_string_utilities.mod dbcsr_data_methods.mod dbcsr_acc_stream.mod dbcsr_acc_device.mod dbcsr_index_operations.mod dbcsr_transformations.mod dbcsr_config.mod dbcsr_mpiwrap.mod dbcsr_mm_dist_operations.mod dbcsr_mm_3d.mod dbcsr_base_hooks.mod dbcsr_mm_cannon.mod dbcsr_methods.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm.F dbcsr_mm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_mm.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm.mod' due to: dbcsr_mm.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_acc_device.mod dbcsr_work_operations.mod dbcsr_string_utilities.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_acc_stream.mod dbcsr_mpiwrap.mod dbcsr_io.mod dbcsr_mm_cannon.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mm_dist_operations.mod dbcsr_methods.mod dbcsr_mm_multrec.mod dbcsr_mem_methods.mod dbcsr_mm_3d.mod dbcsr_config.mod dbcsr_data_methods.mod dbcsr_mm_sched.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_operations.mod dbcsr_index_operations.mod dbcsr_mm_common.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_mm.mod' due to: dbcsr_mm.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_io.mod dbcsr_mm_common.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mm_sched.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_mem_methods.mod dbcsr_string_utilities.mod dbcsr_data_methods.mod dbcsr_acc_stream.mod dbcsr_acc_device.mod dbcsr_index_operations.mod dbcsr_transformations.mod dbcsr_config.mod dbcsr_mpiwrap.mod dbcsr_mm_dist_operations.mod dbcsr_mm_3d.mod dbcsr_base_hooks.mod dbcsr_mm_cannon.mod dbcsr_methods.mod dbcsr_dist_methods.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_lib.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_lib.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_timings_report.mod dbcsr_error_handling.mod dbcsr_acc_device.mod dbcsr_log_handling.mod dbcsr_acc_init.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_mm.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_lib.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_lib.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_acc_init.mod dbcsr_error_handling.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_timings_report.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_mm.mod dbcsr_acc_device.mod dbcsr_kinds.mod dbcsr_log_handling.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_lib.F dbcsr_lib.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_multiply_api.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_mm.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_multiply_api.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_mm.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F dbcsr_multiply_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_lib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_multiply_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_multiply_api.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_multiply_api.mod' due to: dbcsr_multiply_api.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_mm.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_multiply_api.mod' due to: dbcsr_multiply_api.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_mm.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tests.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_io.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_operations.mod dbcsr_multiply_api.mod dbcsr_test_methods.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_dist_util.mod dbcsr_dist_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tests.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_io.mod dbcsr_work_operations.mod dbcsr_dist_operations.mod dbcsr_dist_util.mod dbcsr_machine.mod dbcsr_mp_methods.mod dbcsr_multiply_api.mod dbcsr_mpiwrap.mod dbcsr_operations.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_test_methods.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_transformations.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_tests.F dbcsr_tests.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_mm.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_work_operations.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_transformations.mod dbcsr_methods.mod dbcsr_tas_reshape_ops.mod dbcsr_tas_global.mod dbcsr_config.mod dbcsr_multiply_api.mod dbcsr_data_methods.mod dbcsr_tas_split.mod dbcsr_tas_util.mod dbcsr_tas_io.mod dbcsr_kinds.mod dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_mm.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_work_operations.mod dbcsr_operations.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_data_methods.mod dbcsr_tas_reshape_ops.mod dbcsr_tas_util.mod dbcsr_transformations.mod dbcsr_config.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_multiply_api.mod dbcsr_methods.mod dbcsr_tas_split.mod dbcsr_dist_methods.mod dbcsr_tas_io.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F dbcsr_tas_mm.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_lib.mod' due to: dbcsr_lib.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_lib.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_timings_report.mod dbcsr_error_handling.mod dbcsr_acc_device.mod dbcsr_log_handling.mod dbcsr_acc_init.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_config.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_mm.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_lib.mod' due to: dbcsr_lib.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/core/dbcsr_lib.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_config.mod dbcsr_acc_init.mod dbcsr_error_handling.mod dbcsr_machine.mod dbcsr_timings.mod dbcsr_timings_report.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_mm.mod dbcsr_acc_device.mod dbcsr_kinds.mod dbcsr_log_handling.mod true mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tests.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tests.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_mm.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tests.mod' due to: dbcsr_tests.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_io.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_operations.mod dbcsr_multiply_api.mod dbcsr_test_methods.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_dist_util.mod dbcsr_dist_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tests.mod' due to: dbcsr_tests.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_base_hooks.mod dbcsr_io.mod dbcsr_work_operations.mod dbcsr_dist_operations.mod dbcsr_dist_util.mod dbcsr_machine.mod dbcsr_mp_methods.mod dbcsr_multiply_api.mod dbcsr_mpiwrap.mod dbcsr_operations.mod dbcsr_data_methods.mod dbcsr_methods.mod dbcsr_test_methods.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_transformations.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_api.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_string_utilities.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_io.mod dbcsr_tests.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_methods.mod dbcsr_block_access.mod dbcsr_test_methods.mod dbcsr_config.mod dbcsr_multiply_api.mod dbcsr_lib.mod dbcsr_data_methods.mod dbcsr_dist_operations.mod dbcsr_csr_conversions.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_api.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_lib.mod dbcsr_io.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_csr_conversions.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_kinds.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_string_utilities.mod dbcsr_data_methods.mod dbcsr_transformations.mod dbcsr_config.mod dbcsr_mpiwrap.mod dbcsr_test_methods.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_multiply_api.mod dbcsr_methods.mod dbcsr_tests.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dbcsr_api.F dbcsr_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_api.F90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:1027:48: @@ -2043,41 +2079,41 @@ 109 | matrix_c_rep, matrix_b_rep, matrix_a_rep | ^ note: 'matrix_b_rep' was declared here -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_api.mod' due to: dbcsr_api.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_iterator_operations.mod dbcsr_work_operations.mod dbcsr_string_utilities.mod dbcsr_mp_methods.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_io.mod dbcsr_tests.mod dbcsr_base_hooks.mod dbcsr_transformations.mod dbcsr_methods.mod dbcsr_block_access.mod dbcsr_test_methods.mod dbcsr_config.mod dbcsr_multiply_api.mod dbcsr_lib.mod dbcsr_data_methods.mod dbcsr_dist_operations.mod dbcsr_csr_conversions.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_api.mod' due to: dbcsr_api.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/dbcsr_api.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_types.mod dbcsr_types.mod dbcsr_lib.mod dbcsr_io.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_csr_conversions.mod dbcsr_mp_methods.mod dbcsr_operations.mod dbcsr_kinds.mod dbcsr_dist_operations.mod dbcsr_block_access.mod dbcsr_string_utilities.mod dbcsr_data_methods.mod dbcsr_transformations.mod dbcsr_config.mod dbcsr_mpiwrap.mod dbcsr_test_methods.mod dbcsr_iterator_operations.mod dbcsr_base_hooks.mod dbcsr_multiply_api.mod dbcsr_methods.mod dbcsr_tests.mod dbcsr_dist_methods.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_mm.mod' due to: dbcsr_tas_mm.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_work_operations.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_transformations.mod dbcsr_methods.mod dbcsr_tas_reshape_ops.mod dbcsr_tas_global.mod dbcsr_config.mod dbcsr_multiply_api.mod dbcsr_data_methods.mod dbcsr_tas_split.mod dbcsr_tas_util.mod dbcsr_tas_io.mod dbcsr_kinds.mod dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_mm.mod' due to: dbcsr_tas_mm.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_data_types.mod dbcsr_work_operations.mod dbcsr_operations.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_data_methods.mod dbcsr_tas_reshape_ops.mod dbcsr_tas_util.mod dbcsr_transformations.mod dbcsr_config.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_multiply_api.mod dbcsr_methods.mod dbcsr_tas_split.mod dbcsr_dist_methods.mod dbcsr_tas_io.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_allocate_wrap.mod dbcsr_tas_global.mod dbcsr_tas_mm.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_operations.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_tensor_index.mod dbcsr_tas_split.mod dbcsr_mpiwrap.mod dbcsr_array_list_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_types.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_base_hooks.mod dbcsr_api.mod dbcsr_operations.mod dbcsr_tensor_index.mod dbcsr_mpiwrap.mod dbcsr_tas_base.mod dbcsr_tas_global.mod dbcsr_allocate_wrap.mod dbcsr_toollib.mod dbcsr_tas_split.mod dbcsr_array_list_methods.mod dbcsr_kinds.mod dbcsr_tas_mm.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F dbcsr_tensor_types.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_test.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_tas_types.mod dbcsr_work_operations.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_tas_mm.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_transformations.mod dbcsr_methods.mod dbcsr_blas_operations.mod dbcsr_tas_global.mod dbcsr_multiply_api.mod dbcsr_data_methods.mod dbcsr_tas_split.mod dbcsr_tas_util.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tas_test.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_operations.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_tas_mm.mod dbcsr_data_methods.mod dbcsr_tas_util.mod dbcsr_transformations.mod dbcsr_blas_operations.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_multiply_api.mod dbcsr_methods.mod dbcsr_tas_split.mod dbcsr_dist_methods.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_test.F dbcsr_tas_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tas_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_types.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_test.mod' due to: dbcsr_tas_test.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_tas_types.mod dbcsr_work_operations.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_tas_mm.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_transformations.mod dbcsr_methods.mod dbcsr_blas_operations.mod dbcsr_tas_global.mod dbcsr_multiply_api.mod dbcsr_data_methods.mod dbcsr_tas_split.mod dbcsr_tas_util.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_dist_util.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tas_test.mod' due to: dbcsr_tas_test.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_types.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_operations.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_tas_mm.mod dbcsr_data_methods.mod dbcsr_tas_util.mod dbcsr_transformations.mod dbcsr_blas_operations.mod dbcsr_tas_global.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_multiply_api.mod dbcsr_methods.mod dbcsr_tas_split.mod dbcsr_dist_methods.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_types.mod' due to: dbcsr_tensor_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_data_types.mod dbcsr_allocate_wrap.mod dbcsr_tas_global.mod dbcsr_tas_mm.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_operations.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_tensor_index.mod dbcsr_tas_split.mod dbcsr_mpiwrap.mod dbcsr_array_list_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_types.mod' due to: dbcsr_tensor_types.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_base_hooks.mod dbcsr_api.mod dbcsr_operations.mod dbcsr_tensor_index.mod dbcsr_mpiwrap.mod dbcsr_tas_base.mod dbcsr_tas_global.mod dbcsr_allocate_wrap.mod dbcsr_toollib.mod dbcsr_tas_split.mod dbcsr_array_list_methods.mod dbcsr_kinds.mod dbcsr_tas_mm.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_block.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tensor_types.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_tensor_index.mod dbcsr_array_list_methods.mod dbcsr_dist_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_block.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_api.mod dbcsr_dist_operations.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_tas_base.mod dbcsr_toollib.mod dbcsr_array_list_methods.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F dbcsr_tensor_block.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_block.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_block.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_block.mod' due to: dbcsr_tensor_block.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tensor_types.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_tensor_index.mod dbcsr_array_list_methods.mod dbcsr_dist_operations.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_block.mod' due to: dbcsr_tensor_block.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_api.mod dbcsr_dist_operations.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_tas_base.mod dbcsr_toollib.mod dbcsr_array_list_methods.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_io.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_tas_io.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_io.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tensor_block.mod dbcsr_kinds.mod dbcsr_tas_io.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F dbcsr_tensor_io.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_split.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_tensor_index.mod dbcsr_array_list_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_split.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_api.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_tensor_block.mod dbcsr_array_list_methods.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F dbcsr_tensor_split.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_reshape.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_reshape.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_api.mod dbcsr_allocate_wrap.mod dbcsr_mpiwrap.mod dbcsr_tas_base.mod dbcsr_tensor_block.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F dbcsr_tensor_reshape.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_reshape.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_reshape.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_split.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_split.F90 -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_io.mod' due to: dbcsr_tensor_io.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_tas_io.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_io.mod' due to: dbcsr_tensor_io.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tensor_block.mod dbcsr_kinds.mod dbcsr_tas_io.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_reshape.mod' due to: dbcsr_tensor_reshape.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_mpiwrap.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_reshape.mod' due to: dbcsr_tensor_reshape.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_api.mod dbcsr_allocate_wrap.mod dbcsr_mpiwrap.mod dbcsr_tas_base.mod dbcsr_tensor_block.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_split.mod' due to: dbcsr_tensor_split.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_allocate_wrap.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_tensor_index.mod dbcsr_array_list_methods.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_split.mod' due to: dbcsr_tensor_split.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_api.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_tensor_block.mod dbcsr_array_list_methods.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_tensor_types.mod dbcsr_tas_types.mod dbcsr_allocate_wrap.mod dbcsr_mpiwrap.mod dbcsr_array_list_methods.mod dbcsr_tensor_io.mod dbcsr_tas_mm.mod dbcsr_tensor_split.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_api.mod dbcsr_tas_split.mod dbcsr_dist_operations.mod dbcsr_tensor_reshape.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_tensor_index.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tensor_types.mod dbcsr_data_types.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_tas_mm.mod dbcsr_dist_operations.mod dbcsr_array_list_methods.mod dbcsr_api.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tensor_io.mod dbcsr_tensor_split.mod dbcsr_tensor_block.mod dbcsr_toollib.mod dbcsr_tensor_reshape.mod dbcsr_tas_split.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor.F dbcsr_tensor.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor.F90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor.F:1041:24: @@ -2100,9 +2136,9 @@ 589 | TYPE(dbcsr_t_type), POINTER :: tensor_small, tensor_large | ^ note: 'tensor_large' was declared here -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor.mod' due to: dbcsr_tensor.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_tensor_types.mod dbcsr_tas_types.mod dbcsr_allocate_wrap.mod dbcsr_mpiwrap.mod dbcsr_array_list_methods.mod dbcsr_tensor_io.mod dbcsr_tas_mm.mod dbcsr_tensor_split.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_api.mod dbcsr_tas_split.mod dbcsr_dist_operations.mod dbcsr_tensor_reshape.mod dbcsr_toollib.mod dbcsr_kinds.mod dbcsr_tensor_index.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor.mod' due to: dbcsr_tensor.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tensor_types.mod dbcsr_data_types.mod dbcsr_tas_base.mod dbcsr_kinds.mod dbcsr_tas_mm.mod dbcsr_dist_operations.mod dbcsr_array_list_methods.mod dbcsr_api.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_mpiwrap.mod dbcsr_base_hooks.mod dbcsr_tensor_io.mod dbcsr_tensor_split.mod dbcsr_tensor_block.mod dbcsr_toollib.mod dbcsr_tensor_reshape.mod dbcsr_tas_split.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_test.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_data_types.mod dbcsr_tensor_io.mod dbcsr_allocate_wrap.mod dbcsr_tensor.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_tensor_index.mod dbcsr_mpiwrap.mod dbcsr_blas_operations.mod dbcsr_tas_test.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_test.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_tensor_io.mod dbcsr_tas_test.mod dbcsr_api.mod dbcsr_tensor.mod dbcsr_blas_operations.mod dbcsr_allocate_wrap.mod dbcsr_mpiwrap.mod dbcsr_tensor_index.mod dbcsr_tas_base.mod dbcsr_tensor_block.mod dbcsr_kinds.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F dbcsr_tensor_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_test.F90 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F:103:18: @@ -2115,9 +2151,9 @@ 113 | PURE FUNCTION blocks_equal(block1, block2) | ^ note: '__result_blocks_equal' was declared here -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_test.mod' due to: dbcsr_tensor_test.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tensor_types.mod dbcsr_data_types.mod dbcsr_tensor_io.mod dbcsr_allocate_wrap.mod dbcsr_tensor.mod dbcsr_api.mod dbcsr_kinds.mod dbcsr_tensor_block.mod dbcsr_base_hooks.mod dbcsr_tas_base.mod dbcsr_tensor_index.mod dbcsr_mpiwrap.mod dbcsr_blas_operations.mod dbcsr_tas_test.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:261: update target 'dbcsr_tensor_test.mod' due to: dbcsr_tensor_test.o /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_tensor_types.mod dbcsr_base_hooks.mod dbcsr_tensor_io.mod dbcsr_tas_test.mod dbcsr_api.mod dbcsr_tensor.mod dbcsr_blas_operations.mod dbcsr_allocate_wrap.mod dbcsr_mpiwrap.mod dbcsr_tensor_index.mod dbcsr_tas_base.mod dbcsr_tensor_block.mod dbcsr_kinds.mod true -/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_api.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_types.mod dbcsr_tensor_io.mod dbcsr_tensor.mod dbcsr_tensor_test.mod dbcsr_tensor_split.mod dbcsr_tensor_block.mod dbcsr_tensor_index.mod +/build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:257: update target 'dbcsr_tensor_api.o' due to: /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_types.mod dbcsr_tensor_io.mod dbcsr_tensor.mod dbcsr_tensor_index.mod dbcsr_tensor_split.mod dbcsr_tensor_test.mod dbcsr_tensor_block.mod python3 /build/reproducible-path/cp2k-2023.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src/tensors/' -I'/build/reproducible-path/cp2k-2023.1/exts/dbcsr/src' dbcsr_tensor_api.F90 /build/reproducible-path/cp2k-2023.1/exts/build_dbcsr//Makefile:329: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a' due to: dbcsr_work_operations.o dbcsr_machine_internal.o dbcsr_machine.o dbcsr_kinds.o dbcsr_base_hooks.o dbcsr_dist_util.o dbcsr_dist_operations.o dbcsr_dist_methods.o dbcsr_mpiwrap.o dbcsr_mp_operations.o dbcsr_mp_methods.o dbcsr_ptr_util.o dbcsr_mem_methods.o dbcsr_data_types.o dbcsr_data_operations.o dbcsr_data_methods_low.o dbcsr_data_methods.o dbcsr_acc_timings.o dbcsr_acc_stream.o dbcsr_acc_init.o dbcsr_acc_hostmem.o dbcsr_acc_event.o dbcsr_acc_devmem.o dbcsr_acc_device.o dbcsr_types.o dbcsr_timings_types.o dbcsr_timings_report.o dbcsr_timings_base_type.o dbcsr_timings.o dbcsr_print_messages.o dbcsr_methods.o dbcsr_log_handling.o dbcsr_list_timerenv.o dbcsr_list_routinestat.o dbcsr_list_routinereport.o dbcsr_list_callstackentry.o dbcsr_list.o dbcsr_lib.o dbcsr_iter_types.o dbcsr_error_handling.o dbcsr_dict.o dbcsr_config.o dbcsr_array_types.o dbcsr_cuda_profiling.o dbcsr_hip_profiling.o dbcsr_multiply_api.o dbcsr_mm_types.o dbcsr_mm_sched.o dbcsr_mm_multrec.o dbcsr_mm_hostdrv.o dbcsr_mm_dist_operations.o dbcsr_mm_csr.o dbcsr_mm_common.o dbcsr_mm_cannon.o dbcsr_mm_accdrv.o dbcsr_mm_3d.o dbcsr_mm.o dbcsr_acc_operations.o dbcsr_iterator_operations.o dbcsr_index_operations.o dbcsr_block_operations.o dbcsr_block_access.o dbcsr_toollib.o dbcsr_string_utilities.o dbcsr_min_heap.o dbcsr_files.o dbcsr_btree.o dbcsr_blas_operations.o dbcsr_array_sort.o dbcsr_transformations.o dbcsr_tests.o dbcsr_test_methods.o dbcsr_operations.o dbcsr_io.o dbcsr_csr_conversions.o acc_opencl_stream.o acc_opencl_mem.o acc_opencl_event.o acc_opencl.o dbcsr_tensor_types.o dbcsr_tensor_test.o dbcsr_tensor_split.o dbcsr_tensor_reshape.o dbcsr_tensor_io.o dbcsr_tensor_index.o dbcsr_tensor_block.o dbcsr_tensor_api.o dbcsr_tensor.o dbcsr_array_list_methods.o dbcsr_allocate_wrap.o dbcsr_api.o dbcsr_tas_util.o dbcsr_tas_types.o dbcsr_tas_test.o dbcsr_tas_split.o dbcsr_tas_reshape_ops.o dbcsr_tas_mm.o dbcsr_tas_io.o dbcsr_tas_global.o dbcsr_tas_base.o opencl_libsmm.o @@ -2137,65 +2173,65 @@ mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.c /build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'machine_cpuid.o' due to: /build/reproducible-path/cp2k-2023.1/src/base/machine_cpuid.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/machine_cpuid.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/base/machine_cpuid.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/base/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kinds.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_miniapp.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_miniapp.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_miniapp.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_miniapp.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_miniapp.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_shard.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/base/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kinds.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kahan_sum.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_shard.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_multiply_gpu.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_internal.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu_kernel.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_multiply_gpu.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_internal.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu_kernel.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_multiply_cpu.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_cpu.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_cpu.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_internal.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_multiply_cpu.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_cpu.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_cpu.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_internal.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_cpu.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kahan_sum.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_multiply_comm.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_comm.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_internal.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_comm.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_multiply_comm.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_comm.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_internal.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_comm.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_comm.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_multiply.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_cpu.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_internal.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_comm.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_multiply.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_internal.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_comm.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_cpu.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply_gpu.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.c /build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_mpi.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.c /build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_mempool.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_matrix.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_matrix.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_library.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_library.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_matrix.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mempool.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_shard.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_multiply.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_library.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_distribution.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'dbm_distribution.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_hyperparams.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_mpi.h /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_distribution.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_miniapp.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_miniapp.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_miniapp.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_miniapp.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/grid_miniapp.c /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fft_kinds.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_kinds.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_kinds.F fft_kinds.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fft_plan.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_plan.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_plan.F fft_plan.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_task_list.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_task_list.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/grid/hip/grid_hip_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_task_list.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_task_list.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/hip/grid_hip_task_list.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/grid_task_list.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_replay.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/grid/hip/grid_hip_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-2023.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_replay.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-2023.1/src/grid/hip/grid_hip_task_list.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/gpu/grid_gpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/grid_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fft_kinds.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fft_kinds.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'tensor_local.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fft_plan.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'tensor_local.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'non_orthorombic_corrections.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'non_orthorombic_corrections.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fft_plan.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_prepare_pab_dgemm.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_prepare_pab_dgemm.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_prepare_pab_dgemm.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_prepare_pab_dgemm.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_prepare_pab_dgemm.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_prepare_pab_dgemm.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_integrate_dgemm.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_integrate_dgemm.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_integrate_dgemm.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_integrate_dgemm.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_integrate_dgemm.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_context_cpu.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_context_cpu.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_context_cpu.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_context_cpu.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_context_cpu.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_context_cpu.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_collocate_dgemm.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_prepare_pab_dgemm.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_collocate_dgemm.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_cpu_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/grid_collocate_dgemm.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'collocation_integration.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'collocation_integration.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/non_orthorombic_corrections.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/collocation_integration.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'coefficients.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'coefficients.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/cpu/utils.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/tensor_local.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/cpu/cpu_private_header.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/cpu/coefficients.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_ref_task_list.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_ref_task_list.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_buffer.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_task_list.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_ref_prepare_pab.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_prepare_pab.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_prepare_pab.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_ref_prepare_pab.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_prepare_pab.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_prepare_pab.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_prepare_pab.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_ref_integrate.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_process_vab.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_ref_integrate.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_process_vab.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.c /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_prepare_pab.c:48:40: warning: argument 12 of type 'const double[n2][n1]' declared with mismatched bound argument 11 [-Wvla-parameter] 47 | const double zetb, const int n1, const int n2, @@ -2239,47 +2275,47 @@ 39 | const double pab[n2][n1], const int n1_prep, 40 | const int n2_prep, double pab_prep[n2_prep][n1_prep]); | ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_ref_collocate.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_ref_collocate.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_integrate.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_prepare_pab.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collint.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/ref/grid_ref_collocate.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_sphere_cache.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_sphere_cache.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_library.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_library.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_common.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.c /build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_basis_set.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_basis_set.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'pw_gpu_internal.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/gpu/pw_gpu_internal.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/offload/offload_fft.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h /build/reproducible-path/cp2k-2023.1/src/pw/gpu/pw_gpu_kernels.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'pw_gpu_internal.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/gpu/pw_gpu_internal.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_runtime.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_fft.h /build/reproducible-path/cp2k-2023.1/src/pw/gpu/pw_gpu_kernels.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/pw/gpu/pw_gpu_internal.c /build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'opencl_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fpga/opencl_utils.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/pw/fpga/opencl_utils.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'fft_fpga.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fpga/fft_fpga.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/pw/fpga/opencl_utils.h /build/reproducible-path/cp2k-2023.1/src/pw/fpga/fft_fpga.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'fft_fpga.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fpga/fft_fpga.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/pw/fpga/fft_fpga.h /build/reproducible-path/cp2k-2023.1/src/pw/fpga/opencl_utils.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/pw/fpga/fft_fpga.c -/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_unittest.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h +/build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'grid_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_unittest.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/grid/grid_replay.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_constants.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_library.h /build/reproducible-path/cp2k-2023.1/src/grid/common/grid_sphere_cache.h /build/reproducible-path/cp2k-2023.1/src/offload/offload_library.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/grid/grid_unittest.c /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dumpdcd.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/dumpdcd.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/dumpdcd.F dumpdcd.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_input_constants.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_input_constants.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_input_constants.F xc_input_constants.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dumpdcd.F90 /build/reproducible-path/cp2k-2023.1/Makefile:498: update target '/build/reproducible-path/cp2k-2023.1/obj/git-ref' due to: FORCE echo git:b888bd8 > "/build/reproducible-path/cp2k-2023.1/obj/git-ref.tmp" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_input_constants.F90 cmp "/build/reproducible-path/cp2k-2023.1/obj/git-ref.tmp" "/build/reproducible-path/cp2k-2023.1/obj/git-ref" || mv -f "/build/reproducible-path/cp2k-2023.1/obj/git-ref.tmp" "/build/reproducible-path/cp2k-2023.1/obj/git-ref" cmp: /build/reproducible-path/cp2k-2023.1/obj/git-ref: No such file or directory /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constants_operator.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/constants_operator.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/constants_operator.F constants_operator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dumpdcd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_input_constants.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constants_operator.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pilaenv_hack.o' due to: /build/reproducible-path/cp2k-2023.1/src/pilaenv_hack.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pilaenv_hack.F pilaenv_hack.F90 /build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'sockets.o' due to: /build/reproducible-path/cp2k-2023.1/src/sockets.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/sockets.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constants_operator.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pilaenv_hack.F90 /build/reproducible-path/cp2k-2023.1/Makefile:539: update target 'torch_c_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/torch_c_api.cpp /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod g++ -c -g -O2 -ffile-prefix-map=/build/reproducible-path/cp2k-2023.1=. -fstack-protector-strong -Wformat -Werror=format-security /build/reproducible-path/cp2k-2023.1/src/torch_c_api.cpp -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pilaenv_hack.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xyz2dcd.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/xyz2dcd.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/xyz2dcd.F xyz2dcd.F90 /build/reproducible-path/cp2k-2023.1/Makefile:522: update target 'libcp2k_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/libcp2k_unittest.c /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/start/libcp2k.h mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2023.1/src/start/libcp2k_unittest.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xyz2dcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xyz2dcd.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kinds.mod' due to: kinds.o /build/reproducible-path/cp2k-2023.1/src/base/kinds.F true /build/reproducible-path/cp2k-2023.1/src/motion/xyz2dcd.F:602:28: @@ -2293,38 +2329,39 @@ true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a' due to: utils.o tensor_local.o non_orthorombic_corrections.o grid_prepare_pab_dgemm.o grid_integrate_dgemm.o grid_context_cpu.o grid_collocate_dgemm.o collocation_integration.o coefficients.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a' due to: grid_sphere_cache.o grid_library.o grid_basis_set.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a utils.o tensor_local.o non_orthorombic_corrections.o grid_prepare_pab_dgemm.o grid_integrate_dgemm.o grid_context_cpu.o grid_collocate_dgemm.o collocation_integration.o coefficients.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a grid_sphere_cache.o grid_library.o grid_basis_set.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a' due to: pw_gpu_internal.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a" +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a grid_sphere_cache.o grid_library.o grid_basis_set.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a pw_gpu_internal.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a' due to: opencl_utils.o fft_fpga.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a" +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a pw_gpu_internal.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a opencl_utils.o fft_fpga.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_constants.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_constants.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +ar: /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_constants.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_constants.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_constants.F input_constants.F90 +creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_input_constants.mod' due to: xc_input_constants.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_input_constants.F true /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minimax_exp_k53.o' due to: /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k53.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constants_operator.mod' due to: constants_operator.o /build/reproducible-path/cp2k-2023.1/src/shg_int/constants_operator.F true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_constants.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_constants.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'machine.o' due to: /build/reproducible-path/cp2k-2023.1/src/base/machine.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/machine_cpuid.h kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/base/machine.F machine.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mathconstants.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/mathconstants.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/mathconstants.F mathconstants.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/base/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' machine.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_exp_k53.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/base/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' machine.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'timings_base_type.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/timings_base_type.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/timings_base_type.F timings_base_type.F90 /build/reproducible-path/cp2k-2023.1/src/base/machine.F:285:25: @@ -2362,16 +2399,7 @@ 601 | FUNCTION rename(src, dest) BIND(C, name="rename") RESULT(errno) | 1 Warning: 'rename' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mathconstants.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_exp_k53.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'string_utilities.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F string_utilities.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lapack.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/lapack.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/lapack.F lapack.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' timings_base_type.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' string_utilities.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_constants.mod' due to: input_constants.o /build/reproducible-path/cp2k-2023.1/src/input_constants.F kinds.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mathconstants.F90 /build/reproducible-path/cp2k-2023.1/src/motion/xyz2dcd.F:495:114: 495 | WRITE (UNIT=output_unit, FMT="(A5,3(1X,F14.6))") ADJUSTL(atomic_label(iatom)), s_pbc(iatom, 1:3) @@ -2436,38 +2464,9 @@ 56 | REAL(KIND=dp), DIMENSION(:), ALLOCATABLE :: atomic_displacement | ^ note: 'atomic_displacement.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F:26:45: - - 26 | CHARACTER(LEN=1), PARAMETER :: backslash = '\\' - | 1 -Warning: CHARACTER expression at (1) is being truncated (2/1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'machine.mod' due to: machine.o /build/reproducible-path/cp2k-2023.1/src/base/machine.F /build/reproducible-path/cp2k-2023.1/src/base/machine_cpuid.h kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mathconstants.mod' due to: mathconstants.o /build/reproducible-path/cp2k-2023.1/src/common/mathconstants.F kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lapack.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'timings_base_type.mod' due to: timings_base_type.o /build/reproducible-path/cp2k-2023.1/src/common/timings_base_type.F kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lapack.mod' due to: lapack.o /build/reproducible-path/cp2k-2023.1/src/common/lapack.F kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'physcon.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/physcon.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/physcon.F physcon.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fast.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fast.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fast.F fast.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kahan_sum.mod' due to: kahan_sum.o -true -/build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F:3171:3: - - 3171 | PURE FUNCTION s2a_60(s1, s2, s3, s4, s5, s6, s7, s8, s9, s10, & - | ^ -Warning: 's2a_60' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' physcon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fast.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fast.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'base_hooks.o' due to: /build/reproducible-path/cp2k-2023.1/src/base/base_hooks.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/base/base_hooks.F base_hooks.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'physcon.mod' due to: physcon.o /build/reproducible-path/cp2k-2023.1/src/common/physcon.F mathconstants.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/base/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' base_hooks.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'string_utilities.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F string_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' timings_base_type.F90 /build/reproducible-path/cp2k-2023.1/src/motion/dumpdcd.F:829:87: 829 | (r(iatom, 3) - r0(iatom, 3))**2) @@ -2489,7 +2488,44 @@ 88 | REAL(KIND=dp), DIMENSION(:), ALLOCATABLE :: atomic_displacement, atomic_mass, atomic_temperature | ^ note: 'atomic_displacement.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'base_hooks.mod' due to: base_hooks.o /build/reproducible-path/cp2k-2023.1/src/base/base_hooks.F kinds.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lapack.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/lapack.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/lapack.F lapack.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' string_utilities.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kahan_sum.mod' due to: kahan_sum.o +true +/build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F:26:45: + + 26 | CHARACTER(LEN=1), PARAMETER :: backslash = '\\' + | 1 +Warning: CHARACTER expression at (1) is being truncated (2/1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lapack.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_constants.mod' due to: input_constants.o /build/reproducible-path/cp2k-2023.1/src/input_constants.F kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F:3171:3: + + 3171 | PURE FUNCTION s2a_60(s1, s2, s3, s4, s5, s6, s7, s8, s9, s10, & + | ^ +Warning: 's2a_60' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'machine.mod' due to: machine.o /build/reproducible-path/cp2k-2023.1/src/base/machine.F /build/reproducible-path/cp2k-2023.1/src/base/machine_cpuid.h kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mathconstants.mod' due to: mathconstants.o /build/reproducible-path/cp2k-2023.1/src/common/mathconstants.F kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'timings_base_type.mod' due to: timings_base_type.o /build/reproducible-path/cp2k-2023.1/src/common/timings_base_type.F kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lapack.mod' due to: lapack.o /build/reproducible-path/cp2k-2023.1/src/common/lapack.F kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'physcon.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/physcon.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/physcon.F physcon.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fast.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fast.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fast.F fast.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' physcon.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'base_hooks.o' due to: /build/reproducible-path/cp2k-2023.1/src/base/base_hooks.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod machine.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/base/base_hooks.F base_hooks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fast.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fast.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/base/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' base_hooks.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'physcon.mod' due to: physcon.o /build/reproducible-path/cp2k-2023.1/src/common/physcon.F mathconstants.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'base_hooks.mod' due to: base_hooks.o /build/reproducible-path/cp2k-2023.1/src/base/base_hooks.F machine.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a' due to: machine.o kinds.o base_hooks.o machine_cpuid.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a" @@ -2500,33 +2536,36 @@ /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_allocate_wrap.F dbt_allocate_wrap.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mltfftsg_tools.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/mltfftsg_tools.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod fft_kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_allocate_wrap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_allocate_wrap.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'virial_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/virial_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/virial_types.F virial_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'shell_potential_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/shell_potential_types.F shell_potential_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' virial_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mltfftsg_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' virial_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mltfftsg_tools.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'damping_dipole_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/damping_dipole_types.F damping_dipole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' shell_potential_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_buffer_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_buffer_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_buffer_types.F cp_parser_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' shell_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' damping_dipole_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_inpp_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_buffer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_buffer_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_ilist_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_ilist_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_ilist_types.F cp_parser_ilist_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'orbital_pointers.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_pointers.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_pointers.F orbital_pointers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'orbital_symbols.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_symbols.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_symbols.F orbital_symbols.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' orbital_pointers.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'damping_dipole_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/damping_dipole_types.F damping_dipole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' orbital_symbols.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' orbital_pointers.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_field_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/force_field_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/force_field_kind_types.F force_field_kind_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'virial_types.mod' due to: virial_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/virial_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' orbital_symbols.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_symbols.F:126:31: 126 | symbol(i:i) = l_sym(l) @@ -2537,12 +2576,20 @@ 112 | INTEGER :: i | ^ note: 'i' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' damping_dipole_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'virial_types.mod' due to: virial_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/virial_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_field_kind_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atprop_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/atprop_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/atprop_types.F atprop_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_field_kind_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'sto_ng.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/sto_ng.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/sto_ng.F sto_ng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atprop_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' sto_ng.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap3_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap_debug.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_onecenter.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_onecenter.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_onecenter.F ai_onecenter.F90 /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_allocate_wrap.F:77:42: 77 | ALLOCATE (array(${arrlist("shape_prv", nmax=dim)}$)) @@ -2553,24 +2600,12 @@ 51 | INTEGER, DIMENSION(${dim}$) :: shape_prv | ^ note: 'shape_prv$' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'sto_ng.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/sto_ng.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/sto_ng.F sto_ng.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atprop_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' sto_ng.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap3_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap_debug.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_onecenter.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_onecenter.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_onecenter.F ai_onecenter.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap3_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap3_debug.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_contraction_sphi.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_contraction_sphi.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_onecenter.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_contraction.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_contraction.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_contraction.F ai_contraction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_contraction_sphi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_onecenter.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_onecenter.F:798:22: 798 | SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb) @@ -2616,153 +2651,163 @@ 1156 | SUBROUTINE num_conf(gmat, rc, k, ra, rb, r, wr) | ^ Warning: 'num_conf' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_contraction_sphi.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_contraction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_contraction.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_fft3d.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_fft3d.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_fft3d.F ps_wavelet_fft3d.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lazy.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/lazy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/lazy.F lazy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_fft3d.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_fft3d.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'graph_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_utils.F graph_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lazy.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_ener_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_ener_types.F md_ener_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' graph_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lazy.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'exclusion_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/exclusion_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/exclusion_types.F exclusion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' graph_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'splines_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/splines_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/splines_types.F splines_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' exclusion_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy_types.F qs_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_ener_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho_atom_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_rho_cflags_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho_atom_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minimax_exp_k15.o' due to: /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k15.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_rho_cflags_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_util.F eri_mme_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' splines_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_expns3_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_mpole_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_types.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_contraction.F:84:88: 84 | INTEGER :: lda, ldb, ldq, lds, ldw, mal, mbl, nal, & | ^ Warning: 'mal' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_exp_k15.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'splines_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/splines_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/splines_types.F splines_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_types.F qs_dftb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' splines_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_expns3_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_mpole_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'taper_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/taper_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/taper_types.F taper_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_types.F qs_dftb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' taper_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_onecenter.mod' due to: ai_onecenter.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_onecenter.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' taper_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_arrays.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_arrays.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'transport_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/transport_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/transport_env_types.F transport_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'exclusion_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/exclusion_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/exclusion_types.F exclusion_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_arrays.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' transport_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'block_p_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/block_p_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/block_p_types.F block_p_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' exclusion_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_ff_fist.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' block_p_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho_atom_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_rho_cflags_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_arrays.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho_atom_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_helpers.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_helpers.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_helpers.F hfx_helpers.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'integration_grid_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/integration_grid_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/integration_grid_types.F integration_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_ff_fist.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gaussian_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_helpers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' integration_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_rho_cflags_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_ff_fist.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_helpers.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minimax_exp_k53.mod' due to: minimax_exp_k53.o /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k53.F kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_ff_fist.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minimax_exp_k15.o' due to: /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k15.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_util.F eri_mme_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'block_p_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/block_p_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/block_p_types.F block_p_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_exp_k15.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_compression_core_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_compression_core_methods.F hfx_compression_core_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' block_p_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mscfg_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mscfg_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mscfg_types.F mscfg_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_trial_fns_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_trial_fns_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mscfg_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'wannier_states_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/wannier_states_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/wannier_states_types.F wannier_states_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_charges_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_charges_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_charges_types.F qs_charges_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_trial_fns_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mscfg_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_trial_fns_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_trial_fns_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' wannier_states_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_charges_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_compression_core_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gaussian_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_trial_fns_types.F90 /build/reproducible-path/cp2k-2023.1/src/qs_fb_trial_fns_types.F:162:31: 162 | SUBROUTINE fb_trial_fns_init(trial_fns) | ^ Warning: 'fb_trial_fns_init' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' wannier_states_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_compression_core_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_compression_core_methods.F hfx_compression_core_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_charges_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'transport_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/transport_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/transport_env_types.F transport_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'integration_grid_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/integration_grid_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/integration_grid_types.F integration_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' transport_env_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_energy_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_energy_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_energy_types.F fist_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' integration_grid_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_energy_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_energy_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_energy_types.F mixed_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_energy_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_ener_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_ener_types.F md_ener_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_energy_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'simpar_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/simpar_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/simpar_types.F simpar_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_compression_core_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_functionals_utilities.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fermi_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/fermi_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod kahan_sum.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fermi_utils.F fermi_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' simpar_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_functionals_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_ener_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mm_mapping_library.o' due to: /build/reproducible-path/cp2k-2023.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mm_mapping_library.F mm_mapping_library.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' simpar_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_geev.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_geev.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_geev.F arnoldi_geev.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap3_debug.mod' due to: ai_overlap3_debug.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3_debug.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_contraction.mod' due to: ai_contraction.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_contraction.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fermi_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mm_mapping_library.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_contraction_sphi.mod' due to: ai_contraction_sphi.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_contraction_sphi.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_contraction.mod' due to: ai_contraction.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_contraction.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_geev.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap3_debug.mod' due to: ai_overlap3_debug.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3_debug.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_geev.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_functionals_utilities.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fermi_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/fermi_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod kahan_sum.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fermi_utils.F fermi_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_functionals_utilities.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'spglib_f08.o' due to: /build/reproducible-path/cp2k-2023.1/src/spglib_f08.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/spglib_f08.F spglib_f08.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fermi_utils.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_hash_table_functions.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' spglib_f08.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_contraction_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_hash_table_functions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_hash_table_functions.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_contract_block.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_contract_block.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_contract_block.F hfx_contract_block.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'spglib_f08.o' due to: /build/reproducible-path/cp2k-2023.1/src/spglib_f08.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/spglib_f08.F spglib_f08.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_contract_block.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mm_mapping_library.o' due to: /build/reproducible-path/cp2k-2023.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mm_mapping_library.F mm_mapping_library.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' spglib_f08.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gaussian_data.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_data.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mm_mapping_library.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'uff_vdw_radii_table.o' due to: /build/reproducible-path/cp2k-2023.1/src/uff_vdw_radii_table.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/uff_vdw_radii_table.F uff_vdw_radii_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_data.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_buffer_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_contraction_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' uff_vdw_radii_table.F90 +/build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_compression_core_methods.F:67:23: + + 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) + | ^ +Warning: 'ints2ints' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_contract_block.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_data.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'wannier90.o' due to: /build/reproducible-path/cp2k-2023.1/src/wannier90.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod physcon.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/wannier90.F wannier90.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_buffer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' uff_vdw_radii_table.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_buffer_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' wannier90.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minimax_exp_gw.o' due to: /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_buffer_types.F90 /build/reproducible-path/cp2k-2023.1/src/qs_fb_buffer_types.F:202:35: 202 | SUBROUTINE fb_buffer_i_associate(a, b) @@ -2775,16 +2820,22 @@ Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minimax_rpa.o' due to: /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_rpa.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_rpa.F minimax_rpa.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' wannier90.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minimax_exp_gw.o' due to: /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_exp_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/hfxbase/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_contraction_methods.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'beta_gamma_psi.o' due to: /build/reproducible-path/cp2k-2023.1/src/beta_gamma_psi.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/beta_gamma_psi.F beta_gamma_psi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_rpa.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_exp_gw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' beta_gamma_psi.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mdctrl_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mdctrl_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mdctrl_types.F mdctrl_types.F90 +/build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F:80:33: + + 80 | E_ratio = E_ratio/1.5_dp + | ^ +Warning: 'e_ratio' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F:45:67: + + 45 | REAL(KIND=dp) :: E_ratio + | ^ +note: 'e_ratio' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' beta_gamma_psi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_rpa.F90 /build/reproducible-path/cp2k-2023.1/src/beta_gamma_psi.F:2014:2: 2014 | 20 f = a*rlog1(-lambda/a) + b*rlog1(lambda/b) @@ -2795,27 +2846,14 @@ 1092 | SUBROUTINE bratio(a, b, x, y, w, w1, ierr) | ^ Warning: 'bratio' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mdctrl_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mdctrl_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mdctrl_types.F mdctrl_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'torch_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/torch_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/torch_api.F torch_api.F90 -/build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_compression_core_methods.F:67:23: - - 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) - | ^ -Warning: 'ints2ints' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F:80:33: - - 80 | E_ratio = E_ratio/1.5_dp - | ^ -Warning: 'e_ratio' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F:45:67: - - 45 | REAL(KIND=dp) :: E_ratio - | ^ -note: 'e_ratio' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mdctrl_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mdctrl_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_alloc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_alloc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_alloc_types.F negf_alloc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"torch_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' torch_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"torch_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' torch_api.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_integr_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_integr_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_integr_utils.F negf_integr_utils.F90 /build/reproducible-path/cp2k-2023.1/src/torch_api.F:368:39: @@ -2828,20 +2866,9 @@ 352 | FUNCTION torch_cuda_is_available() RESULT(res) | ^ note: 'res' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_alloc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_alloc_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_types.F mao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_integr_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/negf_integr_utils.F:181:3: - - 181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) - | ^ -Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'farming_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/farming_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/farming_types.F farming_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'torch_api.mod' due to: torch_api.o /build/reproducible-path/cp2k-2023.1/src/torch_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_rpa.F:10163:10: 10163 | IF (E_ratio > 1.5_dp) THEN @@ -2852,46 +2879,51 @@ 10129 | REAL(KIND=dp) :: E_ratio | ^ note: 'e_ratio' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_integr_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/negf_integr_utils.F:181:3: + + 181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) + | ^ +Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'farming_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/farming_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/farming_types.F farming_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_types.F90 /build/reproducible-path/cp2k-2023.1/src/mao_types.F:38:29: 38 | SUBROUTINE create_mao_type(mao_env) | ^ Warning: 'create_mao_type' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' farming_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'torch_api.mod' due to: torch_api.o /build/reproducible-path/cp2k-2023.1/src/torch_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' farming_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_stati.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_stati.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_stati.F tmc_stati.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_types.F tmc_tree_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_stati.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_stati.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_move_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_types.F tmc_move_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_utils.F tmc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_move_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_move_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_utils.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'memory_utilities.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/memory_utilities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/memory_utilities.F memory_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_utils.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'whittaker.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/whittaker.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/whittaker.F whittaker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' memory_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' memory_utilities.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_array_sort.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_array_sort.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_array_sort.F cp_array_sort.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' whittaker.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list_callstackentry.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list_callstackentry.F list_callstackentry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' whittaker.F90 /build/reproducible-path/cp2k-2023.1/src/common/whittaker.F:111:26: 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) | ^ Warning: 'whittaker_c0' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list_routinestat.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list_routinestat.F list_routinestat.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_array_sort.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list_callstackentry.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'callgraph.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/callgraph.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/callgraph.F callgraph.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list_routinestat.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'routine_map.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/routine_map.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/routine_map.F routine_map.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_array_sort.F90 /build/reproducible-path/cp2k-2023.1/src/common/memory_utilities.F:112:102: 112 | $: reallocate(suffix="r", rank=5, type="REAL(KIND=dp)", zero="0.0_dp") @@ -2902,29 +2934,9 @@ 112 | $: reallocate(suffix="r", rank=5, type="REAL(KIND=dp)", zero="0.0_dp") | ^ note: 'work.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'routine_map.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/routine_map.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/routine_map.F routine_map.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' callgraph.F90 -/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:6: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'callgraph_isready' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:30: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'callgraph_del' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:33: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'callgraph_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'message_passing.o' due to: /build/reproducible-path/cp2k-2023.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mpiwrap/message_passing.F message_passing.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_files.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_files.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_files.F cp_files.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' routine_map.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list_callstackentry.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list_callstackentry.F list_callstackentry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' routine_map.F90 /build/reproducible-path/cp2k-2023.1/src/common/routine_map.F:16:6: 16 | #:call hash_map(prefix='routine_map', & @@ -2940,19 +2952,8 @@ 16 | #:call hash_map(prefix='routine_map', & | ^ Warning: 'routine_map_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:32: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:72: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -note: 'value' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list_routinereport.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list_routinereport.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list_routinereport.F list_routinereport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_files.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'callgraph.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/callgraph.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/callgraph.F callgraph.F90 /build/reproducible-path/cp2k-2023.1/src/common/routine_map.F:16:34: 16 | #:call hash_map(prefix='routine_map', & @@ -2963,40 +2964,72 @@ 16 | #:call hash_map(prefix='routine_map', & | ^ note: 'value' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/mpiwrap/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' message_passing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list_callstackentry.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list_routinestat.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list_routinestat.F list_routinestat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' callgraph.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'message_passing.o' due to: /build/reproducible-path/cp2k-2023.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod machine.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mpiwrap/message_passing.F message_passing.F90 +/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:6: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'callgraph_isready' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:30: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'callgraph_del' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:33: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'callgraph_update' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list_routinestat.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list_routinereport.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list_routinereport.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list_routinereport.F list_routinereport.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'offload_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/offload/offload_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/offload/offload_api.F offload_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list_routinereport.F90 +/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:32: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/common/callgraph.F:17:72: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +note: 'value' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_files.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_files.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod machine.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_files.F cp_files.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list_routinereport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"offload/offload_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/offload/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' offload_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/mpiwrap/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' message_passing.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'structure_factor_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/structure_factor_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/structure_factor_types.F structure_factor_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"offload/offload_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/offload/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' offload_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_files.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'string_table.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/string_table.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/string_table.F string_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' structure_factor_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'splines.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/splines.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lapack.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' structure_factor_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'splines.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/splines.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lapack.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/splines.F splines.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' string_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' string_table.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'spherical_harmonics.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/spherical_harmonics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/spherical_harmonics.F spherical_harmonics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' splines.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' splines.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'print_messages.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/print_messages.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/print_messages.F print_messages.F90 /build/reproducible-path/cp2k-2023.1/src/common/splines.F:261:27: 261 | SUBROUTINE spline3valder(x, xi, c, val, der) | ^ Warning: 'spline3valder' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'print_messages.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/print_messages.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/print_messages.F print_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' spherical_harmonics.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'powell.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/powell.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/powell.F powell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' spherical_harmonics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' print_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' print_messages.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'string_utilities.mod' due to: string_utilities.o /build/reproducible-path/cp2k-2023.1/src/common/string_utilities.F kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' powell.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mathlib.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/mathlib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/mathlib.F mathlib.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'linear_systems.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/linear_systems.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lapack.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/linear_systems.F linear_systems.F90 /build/reproducible-path/cp2k-2023.1/src/common/spherical_harmonics.F:379:20: 379 | END FUNCTION sfac @@ -3007,11 +3040,18 @@ 360 | FUNCTION sfac(n) | ^ note: '__result_sfac' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mathlib.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/mathlib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/mathlib.F mathlib.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'linear_systems.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/linear_systems.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lapack.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/linear_systems.F linear_systems.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' powell.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lebedev.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/lebedev.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/lebedev.F lebedev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mathlib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mathlib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' linear_systems.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gamma.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/gamma.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/gamma.F gamma.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lebedev.F90 /build/reproducible-path/cp2k-2023.1/src/mpiwrap/message_passing.F:3495:33: 3495 | SUBROUTINE mp_file_read_at_chv(fh, offset, msg, msglen) @@ -3197,16 +3237,6 @@ 3874 | SUBROUTINE mp_file_read_at_${nametype1}$ (fh, offset, msg) | ^ Warning: 'mp_file_read_at_c' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' linear_systems.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lebedev.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fparser.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/fparser.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/fparser.F fparser.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gamma.F90 -/build/reproducible-path/cp2k-2023.1/src/common/gamma.F:281:22: - - 281 | SUBROUTINE fgamma_1(nmax, t, f) - | ^ -Warning: 'fgamma_1' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2023.1/src/common/spherical_harmonics.F:1465:25: 1465 | END FUNCTION dlegendre @@ -3217,9 +3247,17 @@ 1336 | FUNCTION dlegendre(x, l, m) RESULT(dplm) | ^ note: 'dplm' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eigenvalueproblems.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/eigenvalueproblems.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lapack.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fparser.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/fparser.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/fparser.F fparser.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gamma.F90 +/build/reproducible-path/cp2k-2023.1/src/common/gamma.F:281:22: + + 281 | SUBROUTINE fgamma_1(nmax, t, f) + | ^ +Warning: 'fgamma_1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eigenvalueproblems.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/eigenvalueproblems.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lapack.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fparser.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fparser.F90 /build/reproducible-path/cp2k-2023.1/src/common/powell.F:1824:30: 1824 | cf = half*(shs - dhd) @@ -3250,14 +3288,14 @@ 1663 | REAL(dp) :: alpha, angle, angtest, bstep, cf, cth, dd, delsq, dg, dhd, & | ^ note: 'bstep' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_iter_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_iter_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_iter_types.F cp_iter_types.F90 /build/reproducible-path/cp2k-2023.1/src/common/fparser.F:355:3: 355 | FUNCTION EvalErrMsg() RESULT(msg) | ^ Warning: 'evalerrmsg' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eigenvalueproblems.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_iter_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_iter_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_iter_types.F cp_iter_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eigenvalueproblems.F90 /build/reproducible-path/cp2k-2023.1/src/common/eigenvalueproblems.F:146:25: 146 | SUBROUTINE cp2k_sgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) @@ -3268,6 +3306,11 @@ 180 | SUBROUTINE cp2k_cgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) | ^ Warning: 'cp2k_cgesvd' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/common/mathlib.F:1411:3: + + 1411 | ELEMENTAL IMPURE FUNCTION expint(n, x) + | ^ +Warning: '__result_expint' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/common/fparser.F:504:36: 504 | IF (PRESENT(inext)) inext = in @@ -3283,19 +3326,26 @@ 503 | IF (PRESENT(ibegin)) ibegin = ib | ^ Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'd3_poly.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/d3_poly.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/d3_poly.F d3_poly.F90 /build/reproducible-path/cp2k-2023.1/src/common/fparser.F:478:62: 478 | INTEGER :: ib, in, j, lstr | ^ note: 'ib' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_iter_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'd3_poly.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/d3_poly.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/d3_poly.F d3_poly.F90 -/build/reproducible-path/cp2k-2023.1/src/common/mathlib.F:1411:3: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_iter_types.F90 +/build/reproducible-path/cp2k-2023.1/src/common/lebedev.F:146:42: - 1411 | ELEMENTAL IMPURE FUNCTION expint(n, x) - | ^ -Warning: '__result_expint' may be used uninitialized [-Wmaybe-uninitialized] + 146 | END FUNCTION get_number_of_lebedev_grid + | ^ +Warning: 'number_of_lebedev_grid' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/common/lebedev.F:113:75: + + 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) + | ^ +note: 'number_of_lebedev_grid' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_result_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_result_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_result_types.F cp_result_types.F90 /build/reproducible-path/cp2k-2023.1/src/common/fparser.F:1027:23: 1027 | vals(ipar) = xval @@ -3306,19 +3356,10 @@ 993 | hh, xval | ^ note: 'xval' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' d3_poly.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_result_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_result_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_result_types.F cp_result_types.F90 -/build/reproducible-path/cp2k-2023.1/src/common/lebedev.F:146:42: - - 146 | END FUNCTION get_number_of_lebedev_grid - | ^ -Warning: 'number_of_lebedev_grid' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/common/lebedev.F:113:75: - - 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) - | ^ -note: 'number_of_lebedev_grid' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' d3_poly.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_min_heap.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_min_heap.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_min_heap.F cp_min_heap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_result_types.F90 /build/reproducible-path/cp2k-2023.1/src/common/d3_poly.F:235:3: 235 | PURE FUNCTION mono_index1(i) RESULT(res) @@ -3419,14 +3460,13 @@ 1751 | SUBROUTINE poly_derive3(p, pRes, npoly, sumUp) | ^ Warning: 'poly_derive3' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_min_heap.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_min_heap.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_min_heap.F cp_min_heap.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'print_messages.mod' due to: print_messages.o /build/reproducible-path/cp2k-2023.1/src/common/print_messages.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_result_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lebedev.mod' due to: lebedev.o /build/reproducible-path/cp2k-2023.1/src/common/lebedev.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_min_heap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_min_heap.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bessel_lib.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/bessel_lib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/bessel_lib.F bessel_lib.F90 /build/reproducible-path/cp2k-2023.1/src/common/cp_min_heap.F:73:3: 73 | ELEMENTAL FUNCTION get_right_child(n) RESULT(child) @@ -3437,8 +3477,8 @@ 100 | ELEMENTAL FUNCTION get_value_by_key(heap, key) RESULT(value) | ^ Warning: 'get_value_by_key' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bessel_lib.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/bessel_lib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/bessel_lib.F bessel_lib.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a' due to: offload_api.o offload_library.o offload_buffer.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a" /build/reproducible-path/cp2k-2023.1/src/common/cp_min_heap.F:380:13: 380 | IF (my_value .LT. parent_value) THEN @@ -3449,67 +3489,96 @@ 362 | INTEGER(kind=valt) :: my_value, parent_value | ^ note: 'my_value' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a' due to: offload_api.o offload_library.o offload_buffer.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a" -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bessel_lib.F90 Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_allocate_wrap.mod' due to: dbt_allocate_wrap.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_allocate_wrap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a offload_api.o offload_library.o offload_buffer.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fast.mod' due to: fast.o /build/reproducible-path/cp2k-2023.1/src/pw/fast.F mathconstants.mod kinds.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bessel_lib.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mltfftsg_tools.mod' due to: mltfftsg_tools.o /build/reproducible-path/cp2k-2023.1/src/pw/fft/mltfftsg_tools.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod fft_kinds.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fast.mod' due to: fast.o /build/reproducible-path/cp2k-2023.1/src/pw/fast.F mathconstants.mod kinds.mod +true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a' due to: grid_ref_task_list.o grid_ref_prepare_pab.o grid_ref_integrate.o grid_ref_collocate.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a grid_ref_task_list.o grid_ref_prepare_pab.o grid_ref_integrate.o grid_ref_collocate.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'shell_potential_types.mod' due to: shell_potential_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +ar: /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'shell_potential_types.mod' due to: shell_potential_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/shell_potential_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'damping_dipole_types.mod' due to: damping_dipole_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_buffer_types.mod' due to: cp_parser_buffer_types.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_buffer_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_inpp_types.mod' due to: cp_parser_inpp_types.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_status_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_ilist_types.mod' due to: cp_parser_ilist_types.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_ilist_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_status_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'orbital_pointers.mod' due to: orbital_pointers.o /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_pointers.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'orbital_symbols.mod' due to: orbital_symbols.o /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_symbols.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'damping_dipole_types.mod' due to: damping_dipole_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/damping_dipole_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ao_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F ao_util.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_field_kind_types.mod' due to: force_field_kind_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/force_field_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atprop_types.mod' due to: atprop_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/atprop_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gamma.mod' due to: gamma.o /build/reproducible-path/cp2k-2023.1/src/common/gamma.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'sto_ng.mod' due to: sto_ng.o /build/reproducible-path/cp2k-2023.1/src/aobasis/sto_ng.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_verfc.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_verfc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod gamma.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_verfc.F ai_verfc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_os_rr.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod gamma.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_os_rr.F ai_os_rr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_verfc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_oneelectron.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_oneelectron.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ao_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gamma.mod' due to: gamma.o /build/reproducible-path/cp2k-2023.1/src/common/gamma.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_oneelectron.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_oneelectron.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod orbital_pointers.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_oneelectron.F ai_oneelectron.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_os_rr.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap_debug.mod' due to: ai_overlap_debug.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_debug.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_oneelectron.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap_aabb.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_aabb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_oneelectron.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap_aabb.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_aabb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap3.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F:140:10: + + 140 | IF (g(1) .LT. t) RETURN ! early exit + | ^ +Warning: 't' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F:107:83: + + 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t + | ^ +note: 't' was declared here +/build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F:131:49: + + 131 | r = MAX(SQRT(0.5_dp*REAL(l, dp)/a), radius) + | ^ +Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F:107:61: + + 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t + | ^ +note: 'a' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap3.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F ai_overlap3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap_aabb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_derivatives.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_derivatives.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod orbital_pointers.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_derivatives.F ai_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_derivatives.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_fermi_contact.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_fermi_contact.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap_aabb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_fermi_contact.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_fermi_contact.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap3.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_eri_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_eri_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod gamma.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_eri_debug.F90 +/build/reproducible-path/cp2k-2023.1/src/aobasis/ai_eri_debug.F:56:21: + + 56 | SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) + | ^ +Warning: 'init_os' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_angmom.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_angmom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_angmom.F ai_angmom.F90 /build/reproducible-path/cp2k-2023.1/src/common/mathlib.F:141:23: 141 | END FUNCTION pswitch @@ -3520,26 +3589,39 @@ 98 | FUNCTION pswitch(x, a, b, order) RESULT(fx) | ^ note: 'fx' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_fermi_contact.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_eri_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_eri_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod gamma.mod kinds.mod mathconstants.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_eri_debug.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_angmom.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_angmom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_angmom.F ai_angmom.F90 -/build/reproducible-path/cp2k-2023.1/src/aobasis/ai_eri_debug.F:56:21: - - 56 | SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) - | ^ -Warning: 'init_os' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_types.mod' due to: ps_wavelet_types.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bessel_lib.mod' due to: bessel_lib.o /build/reproducible-path/cp2k-2023.1/src/common/bessel_lib.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_angmom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_angmom.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_fft3d.mod' due to: ps_wavelet_fft3d.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_fft3d.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lazy.mod' due to: lazy.o /build/reproducible-path/cp2k-2023.1/src/pw/lazy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'graph_utils.mod' due to: graph_utils.o /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'exclusion_types.mod' due to: exclusion_types.o /build/reproducible-path/cp2k-2023.1/src/exclusion_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'splines_types.mod' due to: splines_types.o /build/reproducible-path/cp2k-2023.1/src/splines_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_types.mod' due to: qs_energy_types.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_expns3_types.mod' due to: semi_empirical_expns3_types.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_mpole_types.mod' due to: semi_empirical_mpole_types.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'taper_types.mod' due to: taper_types.o /build/reproducible-path/cp2k-2023.1/src/taper_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_types.mod' due to: qs_dftb_types.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'splines.mod' due to: splines.o /build/reproducible-path/cp2k-2023.1/src/common/splines.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lapack.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_arrays.mod' due to: semi_empirical_int_arrays.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_arrays.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho_atom_types.mod' due to: qs_rho_atom_types.o /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'whittaker.mod' due to: whittaker.o /build/reproducible-path/cp2k-2023.1/src/common/whittaker.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +true /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F:1150:85: 1150 | fax*s(coamx, cob, coc) @@ -3588,120 +3670,96 @@ /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F:135:68: Warning: 'sdc.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'graph_utils.mod' due to: graph_utils.o /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_ener_types.mod' due to: md_ener_types.o /build/reproducible-path/cp2k-2023.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_types.mod' due to: qs_energy_types.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho_atom_types.mod' due to: qs_rho_atom_types.o /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'whittaker.mod' due to: whittaker.o /build/reproducible-path/cp2k-2023.1/src/common/whittaker.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod -true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_rho_cflags_types.mod' due to: xc_rho_cflags_types.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_cflags_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod true /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hartree_local_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/hartree_local_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_atom_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hartree_local_types.F hartree_local_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minimax_exp_k15.mod' due to: minimax_exp_k15.o /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k15.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_helpers.mod' due to: hfx_helpers.o /build/reproducible-path/cp2k-2023.1/src/hfx_helpers.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hartree_local_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minimax_exp_k53.mod' due to: minimax_exp_k53.o /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_k53.F kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hartree_local_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'libint_wrapper.o' due to: /build/reproducible-path/cp2k-2023.1/src/libint_wrapper.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/libint_wrapper.F libint_wrapper.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_ff_fist.mod' due to: qmmm_ff_fist.o /build/reproducible-path/cp2k-2023.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true 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-D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' libint_wrapper.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_util.mod' due to: eri_mme_util.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_types.mod' due to: qs_dftb_types.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'block_p_types.mod' due to: block_p_types.o /build/reproducible-path/cp2k-2023.1/src/block_p_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_expns3_types.mod' due to: semi_empirical_expns3_types.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mscfg_types.mod' due to: mscfg_types.o /build/reproducible-path/cp2k-2023.1/src/mscfg_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_mpole_types.mod' due to: semi_empirical_mpole_types.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'wannier_states_types.mod' due to: wannier_states_types.o /build/reproducible-path/cp2k-2023.1/src/wannier_states_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'taper_types.mod' due to: taper_types.o /build/reproducible-path/cp2k-2023.1/src/taper_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_charges_types.mod' due to: qs_charges_types.o /build/reproducible-path/cp2k-2023.1/src/qs_charges_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true 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/build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'transport_env_types.mod' due to: transport_env_types.o /build/reproducible-path/cp2k-2023.1/src/transport_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'exclusion_types.mod' due to: exclusion_types.o /build/reproducible-path/cp2k-2023.1/src/exclusion_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'block_p_types.mod' due to: block_p_types.o /build/reproducible-path/cp2k-2023.1/src/block_p_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'libint_wrapper.o' due to: /build/reproducible-path/cp2k-2023.1/src/libint_wrapper.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/libint_wrapper.F libint_wrapper.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_ff_fist.mod' due to: qmmm_ff_fist.o /build/reproducible-path/cp2k-2023.1/src/qmmm_ff_fist.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_helpers.mod' due to: hfx_helpers.o /build/reproducible-path/cp2k-2023.1/src/hfx_helpers.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod -true 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-/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gaussian_types.mod' due to: qmmm_gaussian_types.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mscfg_types.mod' due to: mscfg_types.o /build/reproducible-path/cp2k-2023.1/src/mscfg_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_trial_fns_types.mod' due to: qs_fb_trial_fns_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_trial_fns_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'wannier_states_types.mod' due to: wannier_states_types.o /build/reproducible-path/cp2k-2023.1/src/wannier_states_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_charges_types.mod' due to: qs_charges_types.o /build/reproducible-path/cp2k-2023.1/src/qs_charges_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_energy_types.mod' due to: fist_energy_types.o /build/reproducible-path/cp2k-2023.1/src/fist_energy_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_energy_types.mod' due to: mixed_energy_types.o /build/reproducible-path/cp2k-2023.1/src/mixed_energy_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'string_table.mod' due to: string_table.o /build/reproducible-path/cp2k-2023.1/src/common/string_table.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fparser.mod' due to: fparser.o /build/reproducible-path/cp2k-2023.1/src/common/fparser.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_ener_types.mod' due to: md_ener_types.o /build/reproducible-path/cp2k-2023.1/src/motion/md_ener_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'simpar_types.mod' due to: simpar_types.o /build/reproducible-path/cp2k-2023.1/src/simpar_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k_info.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp2k_info.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod string_utilities.mod kinds.mod machine.mod /build/reproducible-path/cp2k-2023.1/obj/git-ref +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'string_table.mod' due to: string_table.o /build/reproducible-path/cp2k-2023.1/src/common/string_table.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k_info.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp2k_info.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod string_utilities.mod machine.mod kinds.mod /build/reproducible-path/cp2k-2023.1/obj/git-ref /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp2k_info.F cp2k_info.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_fermi_contact.mod' due to: ai_fermi_contact.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_fermi_contact.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fparser.mod' due to: fparser.o /build/reproducible-path/cp2k-2023.1/src/common/fparser.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'construct_shg.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/construct_shg.F construct_shg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k_info.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 's_contract_shg.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod gamma.mod kinds.mod mathconstants.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/s_contract_shg.F s_contract_shg.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_functionals_utilities.mod' due to: xc_functionals_utilities.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k_info.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_min_heap.mod' due to: cp_min_heap.o /build/reproducible-path/cp2k-2023.1/src/common/cp_min_heap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' construct_shg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' s_contract_shg.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fermi_utils.mod' due to: fermi_utils.o /build/reproducible-path/cp2k-2023.1/src/fermi_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod kahan_sum.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mm_mapping_library.mod' due to: mm_mapping_library.o /build/reproducible-path/cp2k-2023.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'arnoldi_geev.mod' due to: arnoldi_geev.o /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_geev.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap_aabb.mod' due to: ai_overlap_aabb.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_aabb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap_aabb.mod' due to: ai_overlap_aabb.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_aabb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_hash_table_functions.mod' due to: qs_hash_table_functions.o /build/reproducible-path/cp2k-2023.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'construct_shg.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/construct_shg.F construct_shg.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 's_contract_shg.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod gamma.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/s_contract_shg.F s_contract_shg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' construct_shg.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_functionals_utilities.mod' due to: xc_functionals_utilities.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_functionals_utilities.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'd3_poly.mod' due to: d3_poly.o /build/reproducible-path/cp2k-2023.1/src/common/d3_poly.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' s_contract_shg.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fermi_utils.mod' due to: fermi_utils.o /build/reproducible-path/cp2k-2023.1/src/fermi_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod kahan_sum.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'spglib_f08.mod' due to: spglib_f08.o /build/reproducible-path/cp2k-2023.1/src/spglib_f08.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_min_heap.mod' due to: cp_min_heap.o /build/reproducible-path/cp2k-2023.1/src/common/cp_min_heap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'd3_poly.mod' due to: d3_poly.o /build/reproducible-path/cp2k-2023.1/src/common/d3_poly.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_verfc.mod' due to: ai_verfc.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_verfc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod gamma.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_hash_table_functions.mod' due to: qs_hash_table_functions.o /build/reproducible-path/cp2k-2023.1/src/qs_hash_table_functions.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mm_mapping_library.mod' due to: mm_mapping_library.o /build/reproducible-path/cp2k-2023.1/src/mm_mapping_library.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_fermi_contact.mod' due to: ai_fermi_contact.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_fermi_contact.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gaussian_data.mod' due to: qmmm_gaussian_data.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_data.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eigenvalueproblems.mod' due to: eigenvalueproblems.o /build/reproducible-path/cp2k-2023.1/src/common/eigenvalueproblems.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lapack.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'linear_systems.mod' due to: linear_systems.o /build/reproducible-path/cp2k-2023.1/src/common/linear_systems.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lapack.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eigenvalueproblems.mod' due to: eigenvalueproblems.o /build/reproducible-path/cp2k-2023.1/src/common/eigenvalueproblems.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lapack.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'uff_vdw_radii_table.mod' due to: uff_vdw_radii_table.o /build/reproducible-path/cp2k-2023.1/src/uff_vdw_radii_table.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_hash_table_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod qs_hash_table_functions.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'wannier90.mod' due to: wannier90.o /build/reproducible-path/cp2k-2023.1/src/wannier90.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod physcon.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_hash_table_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod qs_hash_table_functions.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_hash_table_types.F qs_fb_hash_table_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_buffer_types.mod' due to: qs_fb_buffer_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_buffer_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_hash_table_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'wannier90.mod' due to: wannier90.o /build/reproducible-path/cp2k-2023.1/src/wannier90.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod physcon.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minimax_exp_gw.mod' due to: minimax_exp_gw.o /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_hash_table_types.F90 /build/reproducible-path/cp2k-2023.1/src/qs_fb_hash_table_types.F:323:34: 323 | SUBROUTINE fb_hash_table_remove(hash_table, key) @@ -3712,19 +3770,15 @@ 359 | SUBROUTINE fb_hash_table_status(hash_table, nelements, nmax, prime) | ^ Warning: 'fb_hash_table_status' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'linear_systems.mod' due to: linear_systems.o /build/reproducible-path/cp2k-2023.1/src/common/linear_systems.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lapack.mod base_hooks.mod kinds.mod -true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minimax_rpa.mod' due to: minimax_rpa.o /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_rpa.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minimax_exp_gw.mod' due to: minimax_exp_gw.o /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp_gw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mol_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/mol_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_field_kind_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mol_force.F mol_force.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'beta_gamma_psi.mod' due to: beta_gamma_psi.o /build/reproducible-path/cp2k-2023.1/src/beta_gamma_psi.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mol_force.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mol_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/mol_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_field_kind_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mol_force.F mol_force.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mdctrl_types.mod' due to: mdctrl_types.o /build/reproducible-path/cp2k-2023.1/src/mdctrl_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mol_force.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_alloc_types.mod' due to: negf_alloc_types.o /build/reproducible-path/cp2k-2023.1/src/negf_alloc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_integr_utils.mod' due to: negf_integr_utils.o /build/reproducible-path/cp2k-2023.1/src/negf_integr_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod @@ -3741,39 +3795,44 @@ true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_array_sort.mod' due to: cp_array_sort.o /build/reproducible-path/cp2k-2023.1/src/common/cp_array_sort.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'list_callstackentry.mod' due to: list_callstackentry.o /build/reproducible-path/cp2k-2023.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'routine_map.mod' due to: routine_map.o /build/reproducible-path/cp2k-2023.1/src/common/routine_map.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'list_routinestat.mod' due to: list_routinestat.o /build/reproducible-path/cp2k-2023.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'list_callstackentry.mod' due to: list_callstackentry.o /build/reproducible-path/cp2k-2023.1/src/common/list_callstackentry.F /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'callgraph.mod' due to: callgraph.o /build/reproducible-path/cp2k-2023.1/src/common/callgraph.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'routine_map.mod' due to: routine_map.o /build/reproducible-path/cp2k-2023.1/src/common/routine_map.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_files.mod' due to: cp_files.o /build/reproducible-path/cp2k-2023.1/src/common/cp_files.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'list_routinestat.mod' due to: list_routinestat.o /build/reproducible-path/cp2k-2023.1/src/common/list_routinestat.F /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'list_routinereport.mod' due to: list_routinereport.o /build/reproducible-path/cp2k-2023.1/src/common/list_routinereport.F /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'offload_api.mod' due to: offload_api.o /build/reproducible-path/cp2k-2023.1/src/offload/offload_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_files.mod' due to: cp_files.o /build/reproducible-path/cp2k-2023.1/src/common/cp_files.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod machine.mod kinds.mod +true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'structure_factor_types.mod' due to: structure_factor_types.o /build/reproducible-path/cp2k-2023.1/src/common/structure_factor_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'periodic_table.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/periodic_table.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'periodic_table.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/periodic_table.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/periodic_table.F periodic_table.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'parallel_rng_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'parallel_rng_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types.F parallel_rng_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' periodic_table.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_iter_types.mod' due to: cp_iter_types.o /build/reproducible-path/cp2k-2023.1/src/common/cp_iter_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' parallel_rng_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_result_types.mod' due to: cp_result_types.o /build/reproducible-path/cp2k-2023.1/src/common/cp_result_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' periodic_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' parallel_rng_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'spherical_harmonics.mod' due to: spherical_harmonics.o /build/reproducible-path/cp2k-2023.1/src/common/spherical_harmonics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_index.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_index.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod dbt_allocate_wrap.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_index.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_index.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod dbt_allocate_wrap.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_index.F dbt_index.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fftsg_lib.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftsg_lib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mltfftsg_tools.mod fft_kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_index.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_index.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fftw3_lib.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod fft_kinds.mod fft_plan.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftw3_lib.F fftw3_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fftsg_lib.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mathlib.mod' due to: mathlib.o /build/reproducible-path/cp2k-2023.1/src/common/mathlib.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_index.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_index.F90 /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types.F:845:25: 845 | END FUNCTION next_real @@ -3784,13 +3843,14 @@ 804 | FUNCTION next_real(self, variance) RESULT(u) | ^ note: 'u' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fftw3_lib.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fft_kinds.mod fft_plan.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftw3_lib.F fftw3_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fftw3_lib.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fftsg_lib.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftsg_lib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mltfftsg_tools.mod fft_kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_fpga.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_fpga.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_files.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_fpga.F pw_fpga.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_status_types.mod' due to: cp_parser_status_types.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fftw3_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_fpga.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'orbital_transformation_matrices.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod orbital_symbols.mod mathconstants.mod kinds.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90 /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftw3_lib.F:1073:71: 1073 | scal_offset @@ -3806,77 +3866,27 @@ 1072 | INTEGER :: in_offset, my_id, num_rows, out_offset, & | ^ note: 'num_rows' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fftsg_lib.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_status_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_fpga.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ao_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F ao_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_status_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'orbital_transformation_matrices.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod orbital_pointers.mod mathconstants.mod orbital_symbols.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ao_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod gamma.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' orbital_transformation_matrices.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_os_rr.mod' due to: ai_os_rr.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod gamma.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ao_util.mod' due to: ao_util.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_oneelectron.mod' due to: ai_oneelectron.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_oneelectron.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod gamma.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' orbital_transformation_matrices.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_verfc.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_verfc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod gamma.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_verfc.F ai_verfc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_coulomb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_os_rr.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod gamma.mod orbital_pointers.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_os_rr.F ai_os_rr.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_oneelectron.mod' due to: ai_oneelectron.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_oneelectron.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod orbital_pointers.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_operator_ra2m.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operator_ra2m.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90 -/build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F:140:10: - - 140 | IF (g(1) .LT. t) RETURN ! early exit - | ^ -Warning: 't' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F:107:83: - - 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t - | ^ -note: 't' was declared here -/build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F:131:49: - - 131 | r = MAX(SQRT(0.5_dp*REAL(l, dp)/a), radius) - | ^ -Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F:107:61: - - 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t - | ^ -note: 'a' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_coulomb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_derivatives.mod' due to: ai_derivatives.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_verfc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_os_rr.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_derivatives.mod' due to: ai_derivatives.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_derivatives.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod orbital_pointers.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_operator_ra2m.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_kinetic.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F ai_kinetic.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_elec_field.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_elec_field.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_kinetic.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_scaling_function.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_scaling_function.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lazy.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_elec_field.F90 -/build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F:73:77: - - 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & - | ^ -Warning: 'idz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F:73:72: - - 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & - | ^ -Warning: 'idy' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F:73:67: - - 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & - | ^ -Warning: 'idx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_grid_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lebedev.mod mathconstants.mod input_constants.mod memory_utilities.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_grid_atom.F qs_grid_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_scaling_function.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hartree_local_types.mod' due to: hartree_local_types.o /build/reproducible-path/cp2k-2023.1/src/hartree_local_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_atom_types.mod base_hooks.mod kinds.mod -true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pair_potential_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pair_potential_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod base_hooks.mod kinds.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pair_potential_types.F pair_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_scaling_function.F90 /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_scaling_function.F:92:30: 92 | SUBROUTINE wavelet_function(itype, nd, a, x) @@ -3892,40 +3902,34 @@ 296 | SUBROUTINE ftest(m, ch, cg, cgt, cht) | ^ Warning: 'ftest' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_grid_atom.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pair_potential_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pair_potential_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod memory_utilities.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pair_potential_types.F pair_potential_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_grid_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lebedev.mod mathconstants.mod kinds.mod input_constants.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_grid_atom.F qs_grid_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pair_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_grid_atom.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'powell.mod' due to: powell.o /build/reproducible-path/cp2k-2023.1/src/common/powell.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pair_potential_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'libint_wrapper.mod' due to: libint_wrapper.o /build/reproducible-path/cp2k-2023.1/src/libint_wrapper.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'local_gemm_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/local_gemm_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 offload_api.mod input_constants.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/local_gemm_api.F local_gemm_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp2k_info.mod' due to: cp2k_info.o /build/reproducible-path/cp2k-2023.1/src/cp2k_info.F string_utilities.mod kinds.mod machine.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"local_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' local_gemm_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_angmom.mod' due to: ai_angmom.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_angmom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hartree_local_types.mod' due to: hartree_local_types.o /build/reproducible-path/cp2k-2023.1/src/hartree_local_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_atom_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'construct_shg.mod' due to: construct_shg.o /build/reproducible-path/cp2k-2023.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'libint_wrapper.mod' due to: libint_wrapper.o /build/reproducible-path/cp2k-2023.1/src/libint_wrapper.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 's_contract_shg.mod' due to: s_contract_shg.o /build/reproducible-path/cp2k-2023.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod gamma.mod kinds.mod mathconstants.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'local_gemm_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/local_gemm_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod offload_api.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/local_gemm_api.F local_gemm_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp2k_info.mod' due to: cp2k_info.o /build/reproducible-path/cp2k-2023.1/src/cp2k_info.F string_utilities.mod machine.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap3.mod' due to: ai_overlap3.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap3.mod' due to: ai_overlap3.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap3.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_operator_ra2m.mod' due to: ai_operator_ra2m.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operator_ra2m.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"local_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' local_gemm_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'construct_shg.mod' due to: construct_shg.o /build/reproducible-path/cp2k-2023.1/src/shg_int/construct_shg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_kinetic.mod' due to: ai_kinetic.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 's_contract_shg.mod' due to: s_contract_shg.o /build/reproducible-path/cp2k-2023.1/src/shg_int/s_contract_shg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod gamma.mod mathconstants.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_hash_table_types.mod' due to: qs_fb_hash_table_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod qs_hash_table_functions.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_angmom.mod' due to: ai_angmom.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_angmom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mol_force.mod' due to: mol_force.o /build/reproducible-path/cp2k-2023.1/src/mol_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_field_kind_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'header.o' due to: /build/reproducible-path/cp2k-2023.1/src/header.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp2k_info.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/header.F header.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_hash_table_types.mod' due to: qs_fb_hash_table_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_hash_table_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod qs_hash_table_functions.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_basis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_basis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 powell.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_basis_types.F optimize_basis_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nequip_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/nequip_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod torch_api.mod kinds.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nequip_unittest.F nequip_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_basis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' header.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb.F:1666:87: 1666 | coset(0, 0, lb - 1), cocz, n + 1) @@ -3956,61 +3960,56 @@ 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw | ^ note: 'rbp[0]' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nequip_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nequip_unittest.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'memory_utilities_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/memory_utilities_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a memory_utilities.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/memory_utilities_unittest.F memory_utilities_unittest.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'util.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod cp_array_sort.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/util.F util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' memory_utilities_unittest.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'timings_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/timings_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod list_callstackentry.mod list_routinestat.mod callgraph.mod routine_map.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/timings_types.F timings_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mol_force.mod' due to: mol_force.o /build/reproducible-path/cp2k-2023.1/src/mol_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_field_kind_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_basis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_basis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod powell.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_basis_types.F optimize_basis_types.F90 /build/reproducible-path/cp2k-2023.1/src/pair_potential_types.F:924:69: 924 | INTEGER :: i, loc_lb, loc_ub | ^ Warning: 'loc_lb' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' timings_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nequip_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/nequip_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod torch_api.mod kinds.mod cp_files.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nequip_unittest.F nequip_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_basis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nequip_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nequip_unittest.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'memory_utilities_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/memory_utilities_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a kinds.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/memory_utilities_unittest.F memory_utilities_unittest.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'util.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod cp_array_sort.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/util.F util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' memory_utilities_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'timings_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/timings_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod routine_map.mod list_callstackentry.mod callgraph.mod list_routinestat.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/timings_types.F timings_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'structure_factors.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/structure_factors.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 structure_factor_types.mod base_hooks.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/structure_factors.F structure_factors.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'parallel_rng_types.mod' due to: parallel_rng_types.o /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' structure_factors.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_index.mod' due to: dbt_index.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_index.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod dbt_allocate_wrap.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' timings_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'parallel_rng_types.mod' due to: parallel_rng_types.o /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fftw3_lib.mod' due to: fftw3_lib.o /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fft_kinds.mod fft_plan.mod base_hooks.mod cp_files.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' structure_factors.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_index.mod' due to: dbt_index.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_index.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod dbt_allocate_wrap.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fftsg_lib.mod' due to: fftsg_lib.o /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftsg_lib.F mltfftsg_tools.mod fft_kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_fpga.mod' due to: pw_fpga.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fftw3_lib.mod' due to: fftw3_lib.o /build/reproducible-path/cp2k-2023.1/src/pw/fft/fftw3_lib.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod fft_kinds.mod fft_plan.mod cp_files.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_status_types.mod' due to: cp_parser_status_types.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_status_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_fpga.mod' due to: pw_fpga.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_fpga.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_files.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ao_util.mod' due to: ao_util.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ao_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'orbital_transformation_matrices.mod' due to: orbital_transformation_matrices.o /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod orbital_symbols.mod mathconstants.mod kinds.mod orbital_pointers.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'orbital_transformation_matrices.mod' due to: orbital_transformation_matrices.o /build/reproducible-path/cp2k-2023.1/src/aobasis/orbital_transformation_matrices.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod orbital_pointers.mod mathconstants.mod orbital_symbols.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_os_rr.mod' due to: ai_os_rr.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_os_rr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod gamma.mod orbital_pointers.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_spin_orbit.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_spin_orbit.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap_ppl.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_ppl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_oneelectron.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_overlap_debug.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap_ppl.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_ppl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_oneelectron.mod mathconstants.mod kinds.mod ai_overlap_debug.mod orbital_pointers.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_overlap.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod orbital_transformation_matrices.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap.F ai_overlap.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_scaling_function.mod' due to: ps_wavelet_scaling_function.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_scaling_function.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lazy.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_spin_orbit.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'structure_factors.mod' due to: structure_factors.o /build/reproducible-path/cp2k-2023.1/src/common/structure_factors.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 structure_factor_types.mod base_hooks.mod mathconstants.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_grid_atom.mod' due to: qs_grid_atom.o /build/reproducible-path/cp2k-2023.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lebedev.mod mathconstants.mod input_constants.mod memory_utilities.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pair_potential_types.mod' due to: pair_potential_types.o /build/reproducible-path/cp2k-2023.1/src/pair_potential_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod memory_utilities.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'local_gemm_api.mod' due to: local_gemm_api.o /build/reproducible-path/cp2k-2023.1/src/local_gemm_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 offload_api.mod input_constants.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pair_potential_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/pair_potential_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pair_potential_types.mod mathconstants.mod physcon.mod kinds.mod base_hooks.mod fparser.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pair_potential_util.F pair_potential_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap_ppl.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_operator_ra2m.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operator_ra2m.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_overlap.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_kinetic.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F ai_kinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_operator_ra2m.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap.F:1364:26: 1364 | SUBROUTINE overlap_aaab(la1_max, la1_min, npgfa1, rpgfa1, zeta1, & @@ -4026,27 +4025,58 @@ 1776 | SUBROUTINE overlap_abbb(la_max, la_min, npgfa, rpgfa, zeta, & | ^ Warning: 'overlap_abbb' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'header.o' due to: /build/reproducible-path/cp2k-2023.1/src/header.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp2k_info.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/header.F header.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pair_potential_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_elec_field.mod' due to: ai_elec_field.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_elec_field.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_elec_field.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_elec_field.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_kinetic.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_scaling_function.mod' due to: ps_wavelet_scaling_function.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_scaling_function.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lazy.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'structure_factors.mod' due to: structure_factors.o /build/reproducible-path/cp2k-2023.1/src/common/structure_factors.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 structure_factor_types.mod base_hooks.mod mathconstants.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_elec_field.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pair_potential_types.mod' due to: pair_potential_types.o /build/reproducible-path/cp2k-2023.1/src/pair_potential_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod base_hooks.mod kinds.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F:73:77: + + 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & + | ^ +Warning: 'idz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F:73:72: + + 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & + | ^ +Warning: 'idy' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F:73:67: + + 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & + | ^ +Warning: 'idx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_grid_atom.mod' due to: qs_grid_atom.o /build/reproducible-path/cp2k-2023.1/src/qs_grid_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod lebedev.mod mathconstants.mod kinds.mod input_constants.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'local_gemm_api.mod' due to: local_gemm_api.o /build/reproducible-path/cp2k-2023.1/src/local_gemm_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod offload_api.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_field_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_field_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod pair_potential_types.mod force_field_kind_types.mod damping_dipole_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_field_types.F force_field_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pair_potential_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/pair_potential_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pair_potential_types.mod base_hooks.mod mathconstants.mod kinds.mod fparser.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pair_potential_util.F pair_potential_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_field_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap_ppl.mod' due to: ai_overlap_ppl.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_ppl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_oneelectron.mod mathconstants.mod kinds.mod ai_overlap_debug.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_operator_ra2m.mod' due to: ai_operator_ra2m.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operator_ra2m.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pair_potential_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_verfc.mod' due to: ai_verfc.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_verfc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod gamma.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_kinetic.mod' due to: ai_kinetic.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_kinetic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'header.mod' due to: header.o /build/reproducible-path/cp2k-2023.1/src/header.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp2k_info.mod base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_matrix_data_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_matrix_data_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_hash_table_types.mod qs_fb_buffer_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' header.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/csvr_system_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/csvr_system_utils.F csvr_system_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_matrix_data_types.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_fb_matrix_data_types.F:137:38: - - 137 | SUBROUTINE fb_matrix_data_associate(a, b) - | ^ -Warning: 'fb_matrix_data_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/qs_fb_matrix_data_types.F:299:35: - - 299 | SUBROUTINE fb_matrix_data_status(matrix_data, nmax, nblks, nencode, blk_sizes) - | ^ -Warning: 'fb_matrix_data_status' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_matrix_data_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_basis_types.mod' due to: optimize_basis_types.o /build/reproducible-path/cp2k-2023.1/src/optimize_basis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod powell.mod +true /build/reproducible-path/cp2k-2023.1/src/pair_potential_util.F:164:31: 164 | value = value + lvalue @@ -4057,44 +4087,50 @@ 52 | REAL(KIND=dp) :: bd6, bd8, dampsum, f6, f8, lvalue, pp, & | ^ note: 'pp' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_basis_types.mod' due to: optimize_basis_types.o /build/reproducible-path/cp2k-2023.1/src/optimize_basis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 powell.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'timings_types.mod' due to: timings_types.o /build/reproducible-path/cp2k-2023.1/src/common/timings_types.F list_callstackentry.mod list_routinestat.mod callgraph.mod routine_map.mod +/build/reproducible-path/cp2k-2023.1/src/qs_fb_matrix_data_types.F:137:38: + + 137 | SUBROUTINE fb_matrix_data_associate(a, b) + | ^ +Warning: 'fb_matrix_data_associate' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/qs_fb_matrix_data_types.F:299:35: + + 299 | SUBROUTINE fb_matrix_data_status(matrix_data, nmax, nblks, nencode, blk_sizes) + | ^ +Warning: 'fb_matrix_data_status' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'timings_types.mod' due to: timings_types.o /build/reproducible-path/cp2k-2023.1/src/common/timings_types.F routine_map.mod list_callstackentry.mod callgraph.mod list_routinestat.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_utils.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'util.mod' due to: util.o /build/reproducible-path/cp2k-2023.1/src/common/util.F cp_array_sort.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_array_list_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_array_list_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_index.mod base_hooks.mod dbt_allocate_wrap.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_array_list_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_array_list_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod dbt_index.mod dbt_allocate_wrap.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_array_list_methods.F dbt_array_list_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fft_lib.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fftw3_lib.mod fft_kinds.mod base_hooks.mod fft_plan.mod fftsg_lib.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_util.F dbt_tas_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_array_list_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fft_lib.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod fft_kinds.mod fft_plan.mod fftsg_lib.mod fftw3_lib.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_lib.F fft_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_array_list_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_neighbor_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 util.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'periodic_table.mod' due to: periodic_table.o /build/reproducible-path/cp2k-2023.1/src/common/periodic_table.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_spin_orbit.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_spin_orbit.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fft_lib.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'graph_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod graph_utils.mod periodic_table.mod kinds.mod physcon.mod cp_files.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F graph_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_spin_orbit.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_neighbor_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_list_types.F qs_neighbor_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' graph_methods.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_derivative_desc.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_desc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_desc.F xc_derivative_desc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/fft/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fft_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_neighbor_list_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_field_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_field_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod pair_potential_types.mod force_field_kind_types.mod damping_dipole_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_field_types.F force_field_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pair_potential_util.mod' due to: pair_potential_util.o /build/reproducible-path/cp2k-2023.1/src/pair_potential_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pair_potential_types.mod mathconstants.mod physcon.mod kinds.mod base_hooks.mod fparser.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_derivative_desc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_field_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'header.mod' due to: header.o /build/reproducible-path/cp2k-2023.1/src/header.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp2k_info.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_neighbor_list_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_field_types.mod' due to: force_field_types.o /build/reproducible-path/cp2k-2023.1/src/force_field_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod pair_potential_types.mod force_field_kind_types.mod damping_dipole_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_desc.F:97:26: - - 97 | END FUNCTION desc_to_id - | ^ -Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_desc.F:64:39: - - 64 | FUNCTION desc_to_id(desc) RESULT(id) - | ^ -note: 'id' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_spin_orbit.mod' due to: ai_spin_orbit.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_spin_orbit.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_pointers.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pair_potential_util.mod' due to: pair_potential_util.o /build/reproducible-path/cp2k-2023.1/src/pair_potential_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pair_potential_types.mod base_hooks.mod mathconstants.mod kinds.mod fparser.mod physcon.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_derivative_desc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'graphcon.o' due to: /build/reproducible-path/cp2k-2023.1/src/graphcon.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/graphcon.F graphcon.F90 /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_list_types.F:334:28: 334 | iterator%nnode = nnode @@ -4135,7 +4171,17 @@ 293 | INTEGER :: i, ij, ilist, me, nlist, nnode | ^ note: 'ilist' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap_ppl.mod' due to: ai_overlap_ppl.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap_ppl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_oneelectron.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_overlap_debug.mod +/build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_desc.F:97:26: + + 97 | END FUNCTION desc_to_id + | ^ +Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_desc.F:64:39: + + 64 | FUNCTION desc_to_id(desc) RESULT(id) + | ^ +note: 'id' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_spin_orbit.mod' due to: ai_spin_orbit.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_spin_orbit.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod true /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_list_types.F:227:61: @@ -4147,108 +4193,102 @@ 172 | INTEGER :: iatom, il, ilist, mthread, nlist | ^ note: 'iatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'graphcon.o' due to: /build/reproducible-path/cp2k-2023.1/src/graphcon.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/graphcon.F graphcon.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molsym.o' due to: /build/reproducible-path/cp2k-2023.1/src/molsym.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod mathconstants.mod physcon.mod util.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' graphcon.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_elec_field.mod' due to: ai_elec_field.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_elec_field.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molsym.o' due to: /build/reproducible-path/cp2k-2023.1/src/molsym.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod physcon.mod mathlib.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/molsym.F molsym.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' graphcon.F90 +/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:499:94: + + 499 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(yy0 - avg2)*(dyy - davg2) + | ^ +Warning: 'yy0' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:403:100: + + 403 | REAL(KIND=dp) :: avg1, avg2, diff, ene, norm_dx, xx0, yy0 + | ^ +note: 'yy0' was declared here +/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:496:94: + + 496 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(xx0 - avg2)*(dxx - davg2) + | ^ +Warning: 'xx0' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:403:95: + + 403 | REAL(KIND=dp) :: avg1, avg2, diff, ene, norm_dx, xx0, yy0 + | ^ +note: 'xx0' was declared here /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_matrix_data_types.mod' due to: qs_fb_matrix_data_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_matrix_data_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_hash_table_types.mod qs_fb_buffer_types.mod base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molsym.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_utils.mod' due to: csvr_system_utils.o /build/reproducible-path/cp2k-2023.1/src/csvr_system_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod base_hooks.mod kinds.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molsym.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list_timerenv.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list_timerenv.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_types.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list_timerenv.F list_timerenv.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_global.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_global.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 util.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_global.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_global.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_global.F dbt_tas_global.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list_timerenv.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 util.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_util.F dbt_tas_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_global.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_global.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_array_list_methods.mod' due to: dbt_array_list_methods.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_array_list_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_index.mod base_hooks.mod dbt_allocate_wrap.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:36:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list_timerenv.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_array_list_methods.mod' due to: dbt_array_list_methods.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_array_list_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod dbt_index.mod dbt_allocate_wrap.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_util.mod' due to: dbt_tas_util.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod util.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fft_lib.mod' due to: fft_lib.o /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fftw3_lib.mod fft_kinds.mod base_hooks.mod fft_plan.mod fftsg_lib.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fft_lib.mod' due to: fft_lib.o /build/reproducible-path/cp2k-2023.1/src/pw/fft/fft_lib.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod fft_kinds.mod fft_plan.mod fftsg_lib.mod fftw3_lib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'periodic_table.mod' due to: periodic_table.o /build/reproducible-path/cp2k-2023.1/src/common/periodic_table.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_global.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_global.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_coulomb.mod' due to: ai_coulomb.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod gamma.mod orbital_pointers.mod true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a' due to: mltfftsg_tools.o fftw3_lib.o fftsg_lib.o fft_plan.o fft_lib.o fft_kinds.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a mltfftsg_tools.o fftw3_lib.o fftsg_lib.o fft_plan.o fft_lib.o fft_kinds.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'graph_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod graph_utils.mod periodic_table.mod physcon.mod kinds.mod memory_utilities.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F graph_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_neighbor_list_types.mod' due to: qs_neighbor_list_types.o /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 util.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_neighbor_list_types.mod' due to: qs_neighbor_list_types.o /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod util.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_derivative_desc.mod' due to: xc_derivative_desc.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_desc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod util.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' graph_methods.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gcp_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gcp_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gcp_types.F qs_gcp_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_field_types.mod' due to: force_field_types.o /build/reproducible-path/cp2k-2023.1/src/force_field_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod pair_potential_types.mod force_field_kind_types.mod damping_dipole_types.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gcp_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_nl_hash_table_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod base_hooks.mod kinds.mod qs_hash_table_functions.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_nl_hash_table_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod base_hooks.mod qs_hash_table_functions.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gcp_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'list_timerenv.mod' due to: list_timerenv.o /build/reproducible-path/cp2k-2023.1/src/common/list_timerenv.F /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_util.mod' due to: dbt_tas_util.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 util.mod base_hooks.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_nl_hash_table_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_nl_hash_table_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_coulomb_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_coulomb.mod machine.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gcp_types.mod' due to: qs_gcp_types.o /build/reproducible-path/cp2k-2023.1/src/qs_gcp_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:499:94: - - 499 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(yy0 - avg2)*(dyy - davg2) - | ^ -Warning: 'yy0' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:403:100: - - 403 | REAL(KIND=dp) :: avg1, avg2, diff, ene, norm_dx, xx0, yy0 - | ^ -note: 'yy0' was declared here -/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:496:94: - - 496 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(xx0 - avg2)*(dxx - davg2) - | ^ -Warning: 'xx0' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:403:95: - - 403 | REAL(KIND=dp) :: avg1, avg2, diff, ene, norm_dx, xx0, yy0 - | ^ -note: 'xx0' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-2023.1/src/common/list.fypp timings_base_type.mod list_timerenv.mod list_routinereport.mod list_routinestat.mod list_callstackentry.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list.F list.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_global.mod' due to: dbt_tas_global.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_global.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 util.mod base_hooks.mod kinds.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_coulomb_test.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'graphcon.mod' due to: graphcon.o /build/reproducible-path/cp2k-2023.1/src/graphcon.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod util.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_nl_hash_table_types.mod' due to: qs_nl_hash_table_types.o /build/reproducible-path/cp2k-2023.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod base_hooks.mod kinds.mod qs_hash_table_functions.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_nl_hash_table_types.mod' due to: qs_nl_hash_table_types.o /build/reproducible-path/cp2k-2023.1/src/qs_nl_hash_table_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod base_hooks.mod qs_hash_table_functions.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'list.mod' due to: list.o /build/reproducible-path/cp2k-2023.1/src/common/list.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-2023.1/src/common/list.fypp timings_base_type.mod list_timerenv.mod list_routinereport.mod list_routinestat.mod list_callstackentry.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'timings.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/timings.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod timings_types.mod callgraph.mod offload_api.mod routine_map.mod list.mod kinds.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/timings.F timings.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' timings.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'timings.mod' due to: timings.o /build/reproducible-path/cp2k-2023.1/src/common/timings.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod timings_types.mod callgraph.mod offload_api.mod routine_map.mod list.mod kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'list.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/list.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod list_callstackentry.mod list_timerenv.mod list_routinereport.mod list_routinestat.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/list.F list.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_global.mod' due to: dbt_tas_global.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_global.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_coulomb.mod' due to: ai_coulomb.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod gamma.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_coulomb_test.mod' due to: ai_coulomb_test.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_coulomb.mod machine.mod kinds.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_coulomb_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod ai_coulomb.mod base_hooks.mod kinds.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_coulomb_test.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_coulomb_test.mod' due to: ai_coulomb_test.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_coulomb_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod ai_coulomb.mod base_hooks.mod kinds.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' list.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'list.mod' due to: list.o /build/reproducible-path/cp2k-2023.1/src/common/list.F /build/reproducible-path/cp2k-2023.1/src/common/list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod list_callstackentry.mod list_timerenv.mod list_routinereport.mod list_routinestat.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap.mod' due to: ai_overlap.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_os_rr.mod orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'timings.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/timings.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_types.mod timings_base_type.mod base_hooks.mod list.mod offload_api.mod routine_map.mod machine.mod callgraph.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/timings.F timings.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' timings.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_overlap.mod' due to: ai_overlap.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_overlap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod orbital_transformation_matrices.mod ai_os_rr.mod mathconstants.mod kinds.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_moments.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_moments.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_overlap.mod orbital_pointers.mod mathconstants.mod ai_derivatives.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_moments.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_moments.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_overlap.mod mathconstants.mod kinds.mod ai_derivatives.mod orbital_pointers.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_moments.F ai_moments.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'debug_os_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_overlap3_debug.mod ai_overlap.mod orbital_pointers.mod kinds.mod ai_overlap3.mod base_hooks.mod ai_overlap_debug.mod ai_overlap_aabb.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'debug_os_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_overlap3.mod ai_overlap3_debug.mod base_hooks.mod ai_overlap_aabb.mod kinds.mod ai_overlap_debug.mod ai_overlap.mod orbital_pointers.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/debug_os_integrals.F debug_os_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' debug_os_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' debug_os_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'message_passing.mod' due to: message_passing.o /build/reproducible-path/cp2k-2023.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod machine.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'timings.mod' due to: timings.o /build/reproducible-path/cp2k-2023.1/src/common/timings.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_types.mod timings_base_type.mod base_hooks.mod list.mod offload_api.mod routine_map.mod machine.mod callgraph.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 't_sh_p_s_c.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/t_sh_p_s_c.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90 /build/reproducible-path/cp2k-2023.1/src/debug_os_integrals.F:46:36: 46 | SUBROUTINE overlap_ab_test_simple() @@ -4264,10 +4304,19 @@ 386 | SUBROUTINE overlap_aabb_test_simple() | ^ Warning: 'overlap_aabb_test_simple' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molsym.mod' due to: molsym.o /build/reproducible-path/cp2k-2023.1/src/molsym.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod mathconstants.mod physcon.mod util.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'debug_os_integrals.mod' due to: debug_os_integrals.o /build/reproducible-path/cp2k-2023.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_overlap3_debug.mod ai_overlap.mod orbital_pointers.mod kinds.mod ai_overlap3.mod base_hooks.mod ai_overlap_debug.mod ai_overlap_aabb.mod -true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 't_c_g0.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/t_c_g0.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/t_c_g0.F t_c_g0.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' t_sh_p_s_c.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a' due to: message_passing.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' t_c_g0.F90 +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a message_passing.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'parallel_rng_types_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a parallel_rng_types.mod message_passing.mod machine.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types_unittest.F parallel_rng_types_unittest.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbm_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_api.F dbm_api.F90 /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F:174:65: 174 | array(ind) = MINVAL(-fes(pnt:pnt + dimval - 1)) @@ -4278,15 +4327,29 @@ 139 | INTEGER :: dimval, i, id, ind, is, it, itt, np, pnt | ^ note: 'ind' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'message_passing.mod' due to: message_passing.o /build/reproducible-path/cp2k-2023.1/src/mpiwrap/message_passing.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod machine.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a' due to: message_passing.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a message_passing.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'parallel_rng_types_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a parallel_rng_types.mod message_passing.mod kinds.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/parallel_rng_types_unittest.F parallel_rng_types_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' parallel_rng_types_unittest.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_grid_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_types.F pw_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbm_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_blacs_calls.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_calls.F cp_blacs_calls.F90 +/build/reproducible-path/cp2k-2023.1/src/dbm/dbm_api.F:1334:44: + + 1334 | SUBROUTINE dbcsr_distribution_new_wrapper(dist, mp_comm, row_dist_block, col_dist_block) + | ^ +Warning: 'dbcsr_distribution_new_wrapper' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_grid_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_base.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod ps_wavelet_fft3d.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_calls.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_blacs_calls.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pexsi_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/pexsi_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pexsi_interface.F pexsi_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_base.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'domain_submatrix_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_types.F domain_submatrix_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pexsi_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_types.F arnoldi_types.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_moments.F:988:46: 988 | s(1, 1, l) = rpc(i)*s(1, 1, l1) @@ -4307,51 +4370,25 @@ 917 | INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & | ^ note: 'i' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbm_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod message_passing.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_api.F dbm_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' parallel_rng_types_unittest.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_grid_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_types.F pw_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbm_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_blacs_calls.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_calls.F cp_blacs_calls.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_grid_types.F90 -/build/reproducible-path/cp2k-2023.1/src/dbm/dbm_api.F:1334:44: - - 1334 | SUBROUTINE dbcsr_distribution_new_wrapper(dist, mp_comm, row_dist_block, col_dist_block) - | ^ -Warning: 'dbcsr_distribution_new_wrapper' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_base.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod ps_wavelet_fft3d.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_calls.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_blacs_calls.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pexsi_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/pexsi_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pexsi_interface.F pexsi_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_base.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'domain_submatrix_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_types.F domain_submatrix_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pexsi_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' domain_submatrix_types.F90 /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_base.F:2104:31: 2104 | SUBROUTINE F_unfill_downcorn(md1, md3, lot, nfft, n3, zw, zf, scal, ehartreetmp) | ^ Warning: 'f_unfill_downcorn' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod message_passing.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_types.F arnoldi_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' domain_submatrix_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbcsr_vector.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbcsr_vector.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbcsrx/dbcsr_vector.F dbcsr_vector.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'submatrix_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/submatrix_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod util.mod message_passing.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'submatrix_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/submatrix_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod message_passing.mod kinds.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/submatrix_types.F submatrix_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbcsrx/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbcsr_vector.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' submatrix_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_para_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_para_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod message_passing.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_para_types.F cp_para_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 't_sh_p_s_c.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/t_sh_p_s_c.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_para_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 't_c_g0.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/t_c_g0.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/t_c_g0.F t_c_g0.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbcsrx/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbcsr_vector.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'debug_os_integrals.mod' due to: debug_os_integrals.o /build/reproducible-path/cp2k-2023.1/src/debug_os_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_overlap3.mod ai_overlap3_debug.mod base_hooks.mod ai_overlap_aabb.mod kinds.mod ai_overlap_debug.mod ai_overlap.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 't_sh_p_s_c.mod' due to: t_sh_p_s_c.o /build/reproducible-path/cp2k-2023.1/src/common/t_sh_p_s_c.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' submatrix_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_contract_block.mod' due to: hfx_contract_block.o /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_contract_block.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true /build/reproducible-path/cp2k-2023.1/src/dbcsrx/dbcsr_vector.F:700:44: 700 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) @@ -4372,46 +4409,55 @@ 700 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) | ^ Warning: 'dbcsr_matrixt_vector_mult_z' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' t_sh_p_s_c.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbm_api.mod' due to: dbm_api.o /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod message_passing.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molsym.mod' due to: molsym.o /build/reproducible-path/cp2k-2023.1/src/molsym.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod physcon.mod mathlib.mod util.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' t_c_g0.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_grid_types.mod' due to: pw_grid_types.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_para_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_para_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod message_passing.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_para_types.F cp_para_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbm_api.mod' due to: dbm_api.o /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod message_passing.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_grid_types.mod' due to: pw_grid_types.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_para_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_blacs_calls.mod' due to: cp_blacs_calls.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_blacs_calls.mod' due to: cp_blacs_calls.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_calls.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 't_c_g0.mod' due to: t_c_g0.o /build/reproducible-path/cp2k-2023.1/src/common/t_c_g0.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'graph_methods.mod' due to: graph_methods.o /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod graph_utils.mod periodic_table.mod physcon.mod kinds.mod memory_utilities.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'graph_methods.mod' due to: graph_methods.o /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod graph_utils.mod periodic_table.mod kinds.mod physcon.mod cp_files.mod memory_utilities.mod true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a' due to: graph_utils.o graph_methods.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a graph_utils.o graph_methods.o -ar: /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pexsi_interface.mod' due to: pexsi_interface.o /build/reproducible-path/cp2k-2023.1/src/pexsi_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod kinds.mod base_hooks.mod -creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pexsi_interface.mod' due to: pexsi_interface.o /build/reproducible-path/cp2k-2023.1/src/pexsi_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'domain_submatrix_types.mod' due to: domain_submatrix_types.o /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'libint_2c_3c.o' due to: /build/reproducible-path/cp2k-2023.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 t_c_g0.mod base_hooks.mod mathconstants.mod libint_wrapper.mod kinds.mod input_constants.mod gamma.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/libint_2c_3c.F libint_2c_3c.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'domain_submatrix_types.mod' due to: domain_submatrix_types.o /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'arnoldi_types.mod' due to: arnoldi_types.o /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_types.F message_passing.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'submatrix_types.mod' due to: submatrix_types.o /build/reproducible-path/cp2k-2023.1/src/submatrix_types.F util.mod message_passing.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_contract_block.mod' due to: hfx_contract_block.o /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_contract_block.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'submatrix_types.mod' due to: submatrix_types.o /build/reproducible-path/cp2k-2023.1/src/submatrix_types.F message_passing.mod kinds.mod util.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' libint_2c_3c.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_para_types.mod' due to: cp_para_types.o /build/reproducible-path/cp2k-2023.1/src/common/cp_para_types.F message_passing.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbm_tests.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_tests.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod dbm_api.mod kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbm_tests.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_tests.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod dbm_api.mod message_passing.mod machine.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_tests.F dbm_tests.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod dbm_api.mod dbt_tas_global.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod dbm_api.mod message_passing.mod dbt_tas_global.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_types.F dbt_tas_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_tests.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbm_tests.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'graph.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 graph_utils.mod mathconstants.mod kinds.mod base_hooks.mod graph_methods.mod cp_files.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_tests.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbm_tests.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_operators_r12.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operators_r12.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 t_c_g0.mod base_hooks.mod mathconstants.mod kinds.mod gamma.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'graph.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod graph_methods.mod graph_utils.mod mathconstants.mod kinds.mod cp_files.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph.F graph.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 't_sh_p_s_c.mod' due to: t_sh_p_s_c.o /build/reproducible-path/cp2k-2023.1/src/common/t_sh_p_s_c.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' graph.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_contraction_methods.mod' due to: hfx_contraction_methods.o /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_operators_r12.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_com_tasks_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod util.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/metadyn_tools/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' graph.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'group_dist_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/group_dist_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod base_hooks.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/group_dist_types.F group_dist_types.F90 /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph.F:658:28: 658 | out3 = out2//"." @@ -4422,20 +4468,15 @@ 660 | out3 = out1//"." | 1 Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_com_tasks_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod message_passing.mod kinds.mod memory_utilities.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'group_dist_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/group_dist_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod util.mod base_hooks.mod message_passing.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/group_dist_types.F group_dist_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_com_tasks_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dgemm_counter_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/dgemm_counter_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_com_tasks_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dgemm_counter_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/dgemm_counter_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod machine.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dgemm_counter_types.F dgemm_counter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' group_dist_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' group_dist_types.F90 /build/reproducible-path/cp2k-2023.1/src/qs_fb_com_tasks_types.F:219:36: 219 | SUBROUTINE fb_com_tasks_associate(a, b) | ^ Warning: 'fb_com_tasks_associate' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dgemm_counter_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dgemm_counter_types.F90 /build/reproducible-path/cp2k-2023.1/src/qs_fb_com_tasks_types.F:232:41: 232 | SUBROUTINE fb_com_atom_pairs_associate(a, b) @@ -4451,7 +4492,8 @@ 306 | SUBROUTINE fb_com_tasks_init(com_tasks) | ^ Warning: 'fb_com_tasks_init' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'timings_report.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/timings_report.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod timings_types.mod cp_para_types.mod cp_files.mod message_passing.mod callgraph.mod routine_map.mod list_routinereport.mod timings.mod list.mod kinds.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dgemm_counter_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dgemm_counter_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'timings_report.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/timings_report.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_types.mod cp_para_types.mod timings_base_type.mod base_hooks.mod list.mod message_passing.mod timings.mod routine_map.mod list_routinereport.mod callgraph.mod kinds.mod cp_files.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/timings_report.F timings_report.F90 /build/reproducible-path/cp2k-2023.1/src/metadyn_tools/graph.F:59:53: @@ -4564,59 +4606,45 @@ 47 | INTEGER, POINTER :: i_map(:), idw(:), ind(:), & | ^ Warning: 'i_map.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'reference_manager.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/reference_manager.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'reference_manager.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/reference_manager.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/reference_manager.F reference_manager.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' timings_report.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_para_env.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_para_env.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_para_env.F cp_para_env.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' reference_manager.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' timings_report.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_log_handling.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod base_hooks.mod string_utilities.mod message_passing.mod timings.mod machine.mod kinds.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_log_handling.F cp_log_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' reference_manager.F90 /build/reproducible-path/cp2k-2023.1/src/common/reference_manager.F:721:40: 721 | res = thebib(key)%ref%citation_key | 1 Warning: CHARACTER expression will be truncated in assignment (80/128) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_log_handling.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod cp_files.mod message_passing.mod string_utilities.mod timings.mod kinds.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_log_handling.F cp_log_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_para_env.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_result_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_result_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod cp_para_types.mod message_passing.mod memory_utilities.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_log_handling.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_para_env.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_para_env.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_para_env.F cp_para_env.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_result_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_result_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod memory_utilities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_result_methods.F cp_result_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_log_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_para_env.F90 /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a' due to: dbm_tests.o dbm_api.o dbm_shard.o dbm_multiply_gpu.o dbm_multiply_cpu.o dbm_multiply_comm.o dbm_multiply.o dbm_mpi.o dbm_mempool.o dbm_matrix.o dbm_library.o dbm_distribution.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_result_methods.F90 Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a dbm_tests.o dbm_api.o dbm_shard.o dbm_multiply_gpu.o dbm_multiply_cpu.o dbm_multiply_comm.o dbm_multiply.o dbm_mpi.o dbm_mempool.o dbm_matrix.o dbm_library.o dbm_distribution.o -ar: /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_types.mod' due to: dbt_tas_types.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod dbm_api.mod dbt_tas_global.mod base_hooks.mod kinds.mod -true -creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_result_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbm_tests.mod' due to: dbm_tests.o /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_tests.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod dbm_api.mod kinds.mod base_hooks.mod machine.mod +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_types.mod' due to: dbt_tas_types.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod dbm_api.mod message_passing.mod dbt_tas_global.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 't_c_g0.mod' due to: t_c_g0.o /build/reproducible-path/cp2k-2023.1/src/common/t_c_g0.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbm_tests.mod' due to: dbm_tests.o /build/reproducible-path/cp2k-2023.1/src/dbm/dbm_tests.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod dbm_api.mod message_passing.mod machine.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_moments.mod' due to: ai_moments.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_moments.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ai_overlap.mod orbital_pointers.mod mathconstants.mod ai_derivatives.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'libint_2c_3c.mod' due to: libint_2c_3c.o /build/reproducible-path/cp2k-2023.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 t_c_g0.mod base_hooks.mod mathconstants.mod libint_wrapper.mod kinds.mod input_constants.mod gamma.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'libint_2c_3c.o' due to: /build/reproducible-path/cp2k-2023.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 libint_wrapper.mod orbital_pointers.mod gamma.mod mathconstants.mod input_constants.mod t_c_g0.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/libint_2c_3c.F libint_2c_3c.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'timings_report.mod' due to: timings_report.o /build/reproducible-path/cp2k-2023.1/src/common/timings_report.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_base_type.mod timings_types.mod cp_para_types.mod cp_files.mod message_passing.mod callgraph.mod routine_map.mod list_routinereport.mod timings.mod list.mod kinds.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_com_tasks_types.mod' due to: qs_fb_com_tasks_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod message_passing.mod kinds.mod memory_utilities.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_operators_r12.mod' due to: ai_operators_r12.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operators_r12.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 t_c_g0.mod base_hooks.mod mathconstants.mod kinds.mod gamma.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'group_dist_types.mod' due to: group_dist_types.o /build/reproducible-path/cp2k-2023.1/src/group_dist_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod util.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_contraction_methods.mod' due to: hfx_contraction_methods.o /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_contraction_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dgemm_counter_types.mod' due to: dgemm_counter_types.o /build/reproducible-path/cp2k-2023.1/src/dgemm_counter_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'timings_report.mod' due to: timings_report.o /build/reproducible-path/cp2k-2023.1/src/common/timings_report.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 timings_types.mod cp_para_types.mod timings_base_type.mod base_hooks.mod list.mod message_passing.mod timings.mod routine_map.mod list_routinereport.mod callgraph.mod kinds.mod cp_files.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_para_env.mod' due to: cp_para_env.o /build/reproducible-path/cp2k-2023.1/src/common/cp_para_env.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_com_tasks_types.mod' due to: qs_fb_com_tasks_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_com_tasks_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod util.mod memory_utilities.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' libint_2c_3c.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_log_handling.mod' due to: cp_log_handling.o /build/reproducible-path/cp2k-2023.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod cp_files.mod message_passing.mod string_utilities.mod timings.mod kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'group_dist_types.mod' due to: group_dist_types.o /build/reproducible-path/cp2k-2023.1/src/group_dist_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod base_hooks.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_split.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_split.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_global.mod util.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_split.F dbt_tas_split.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fft_tools.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod fast.mod message_passing.mod offload_api.mod fft_lib.mod cp_log_handling.mod fft_plan.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft_tools.F fft_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_split.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_split.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_status_types.mod cp_parser_inpp_types.mod cp_parser_ilist_types.mod cp_para_types.mod cp_files.mod message_passing.mod string_utilities.mod kinds.mod cp_para_env.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_types.F cp_parser_types.F90 /build/reproducible-path/cp2k-2023.1/src/common/cp_result_methods.F:273:17: 273 | CPASSERT(nrep*size_res == size_values) @@ -4627,10 +4655,10 @@ 240 | INTEGER :: i, k, nlist, nrep, size_res, size_values | ^ note: 'size_res' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fft_tools.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_enumeration_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_enumeration_types.F input_enumeration_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dgemm_counter_types.mod' due to: dgemm_counter_types.o /build/reproducible-path/cp2k-2023.1/src/dgemm_counter_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod machine.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_log_handling.mod' due to: cp_log_handling.o /build/reproducible-path/cp2k-2023.1/src/common/cp_log_handling.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod base_hooks.mod string_utilities.mod message_passing.mod timings.mod machine.mod kinds.mod cp_files.mod +true /build/reproducible-path/cp2k-2023.1/src/common/cp_result_methods.F:200:17: 200 | CPASSERT(nrep*size_res == size_values) @@ -4641,8 +4669,38 @@ 167 | INTEGER :: i, k, nlist, nrep, size_res, size_values | ^ note: 'size_res' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_para_env.mod' due to: cp_para_env.o /build/reproducible-path/cp2k-2023.1/src/common/cp_para_env.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_units.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_units.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod cp_log_handling.mod mathconstants.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_units.F cp_units.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_error_handling.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_error_handling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod base_hooks.mod print_messages.mod message_passing.mod timings.mod cp_log_handling.mod machine.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_error_handling.F cp_error_handling.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cg_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cg_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod spherical_harmonics.mod lebedev.mod cp_log_handling.mod machine.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cg_test.F cg_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_units.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'reference_manager.mod' due to: reference_manager.o /build/reproducible-path/cp2k-2023.1/src/common/reference_manager.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod util.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_error_handling.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_split.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_split.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod message_passing.mod dbt_tas_global.mod kinds.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_split.F dbt_tas_split.F90 +/build/reproducible-path/cp2k-2023.1/src/common/cp_units.F:439:31: + + 439 | desc = cp_unit_desc(unit) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cg_test.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fft_tools.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod fft_lib.mod base_hooks.mod message_passing.mod cp_log_handling.mod offload_api.mod fast.mod fft_plan.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/fft_tools.F fft_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_split.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_split.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_inpp_types.mod cp_parser_status_types.mod cp_para_types.mod cp_parser_ilist_types.mod base_hooks.mod string_utilities.mod message_passing.mod cp_para_env.mod kinds.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_types.F cp_parser_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fft_tools.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_enumeration_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod base_hooks.mod kinds.mod cp_log_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_enumeration_types.F input_enumeration_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_ilist_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_ilist_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_ilist_types.mod base_hooks.mod cp_log_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_enumeration_types.F90 /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_split.F:582:44: 582 | iproc = pcoord(1)*pdims(2) + pcoord(2) @@ -4663,7 +4721,6 @@ 565 | INTEGER, DIMENSION(2) :: pcoord, pcoord_group, pdims_group | ^ note: 'pcoord[0]' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_enumeration_types.F90 /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_split.F:545:94: 545 | IF (PRESENT(iproc_group)) iproc_group = pcoord_group(1)*pdims_group(2) + pcoord_group(2) @@ -4684,24 +4741,34 @@ 527 | INTEGER, DIMENSION(2) :: pcoord, pcoord_group | ^ note: 'pcoord_group[0]' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_inpp_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_inpp_types.mod string_utilities.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/src/common/cp_units.F:797:37: + + 797 | END FUNCTION cp_basic_unit_to_cp2k + | ^ +Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/common/cp_units.F:643:83: + + 643 | FUNCTION cp_basic_unit_to_cp2k(value, basic_kind, basic_unit, power) RESULT(res) + | ^ +note: 'res' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_inpp_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_inpp_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod cp_files.mod memory_utilities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ai_operators_r12.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operators_r12.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod gamma.mod mathconstants.mod t_c_g0.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_base.mod' due to: ps_wavelet_base.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod ps_wavelet_fft3d.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_base.mod' due to: ps_wavelet_base.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_base.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod ps_wavelet_fft3d.mod base_hooks.mod kinds.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minimax_exp.o' due to: /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_log_handling.mod minimax_exp_k53.mod kinds.mod minimax_exp_k15.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp.F minimax_exp.F90 /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_methods.F:237:53: 237 | filename = "xc_section"//'/'//filename | 1 Warning: CHARACTER expression will be truncated in assignment (1024/1035) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minimax_exp.o' due to: /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 minimax_exp_k15.mod cp_log_handling.mod kinds.mod base_hooks.mod minimax_exp_k53.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp.F minimax_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ai_operators_r12.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'splines_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/splines_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod kinds.mod base_hooks.mod cp_log_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/splines_methods.F splines_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_moments.mod' due to: ai_moments.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_moments.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ai_overlap.mod mathconstants.mod kinds.mod ai_derivatives.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_result_methods.mod' due to: cp_result_methods.o /build/reproducible-path/cp2k-2023.1/src/common/cp_result_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod memory_utilities.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_exp.F90 /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_methods.F:605:75: 605 | newline = input_line(1:pos1 - 3)//var_value//input_line(pos2 + 2:) @@ -4712,34 +4779,40 @@ 666 | END FUNCTION inpp_find_variable | ^ note: '.var_value' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/minimax/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minimax_exp.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_result_methods.mod' due to: cp_result_methods.o /build/reproducible-path/cp2k-2023.1/src/common/cp_result_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod cp_para_types.mod message_passing.mod memory_utilities.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'splines_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/splines_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod base_hooks.mod kinds.mod cp_log_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/splines_methods.F splines_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_error_handling.mod' due to: cp_error_handling.o /build/reproducible-path/cp2k-2023.1/src/common/cp_error_handling.F base_hooks.mod print_messages.mod message_passing.mod timings.mod cp_log_handling.mod machine.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' splines_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'domain_submatrix_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'domain_submatrix_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_methods.F domain_submatrix_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_lbfgs_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' splines_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_lbfgs_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_lbfgs_types.F almo_scf_lbfgs_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' domain_submatrix_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ls_matrix_exp.o' due to: /build/reproducible-path/cp2k-2023.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' domain_submatrix_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ls_matrix_exp.o' due to: /build/reproducible-path/cp2k-2023.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ls_matrix_exp.F ls_matrix_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_lbfgs_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cg_test.mod' due to: cg_test.o /build/reproducible-path/cp2k-2023.1/src/common/cg_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod spherical_harmonics.mod lebedev.mod cp_log_handling.mod machine.mod mathconstants.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_lbfgs_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a' due to: minimax_rpa.o minimax_exp_k53.o minimax_exp_k15.o minimax_exp_gw.o minimax_exp.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a minimax_rpa.o minimax_exp_k53.o minimax_exp_k15.o minimax_exp_gw.o minimax_exp.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ls_matrix_exp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_array_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod machine.mod kinds.mod cp_log_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.F cp_array_utils.F90 /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_methods.F:773:31: 773 | SUBROUTINE trace_submatrices(A, B, trace) | ^ Warning: 'trace_submatrices' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ls_matrix_exp.F90 -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a minimax_rpa.o minimax_exp_k53.o minimax_exp_k15.o minimax_exp_gw.o minimax_exp.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_array_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.fypp kinds.mod base_hooks.mod cp_log_handling.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.F cp_array_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_units.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_units.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_units.F cp_units.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_array_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bibliography.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/bibliography.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod reference_manager.mod string_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/bibliography.F bibliography.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_split.mod' due to: dbt_tas_split.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_split.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod message_passing.mod dbt_tas_global.mod kinds.mod util.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_array_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bibliography.F90 /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.F:195:45: 195 | nRiga = cp_to_string(SIZE(array, 2)) @@ -4755,69 +4828,37 @@ 195 | nRiga = cp_to_string(SIZE(array, 2)) | 1 Warning: CHARACTER expression will be truncated in assignment (10/25) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_error_handling.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cp_error_handling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod message_passing.mod timings.mod cp_log_handling.mod kinds.mod base_hooks.mod print_messages.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cp_error_handling.F cp_error_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_units.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cg_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/cg_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lebedev.mod mathconstants.mod cp_log_handling.mod kinds.mod spherical_harmonics.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/cg_test.F cg_test.F90 -/build/reproducible-path/cp2k-2023.1/src/common/cp_units.F:439:31: - - 439 | desc = cp_unit_desc(unit) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_error_handling.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'reference_manager.mod' due to: reference_manager.o /build/reproducible-path/cp2k-2023.1/src/common/reference_manager.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod kinds.mod util.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cg_test.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_split.mod' due to: dbt_tas_split.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_split.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_global.mod util.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_types.mod' due to: cp_parser_types.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_inpp_types.mod cp_parser_status_types.mod cp_para_types.mod cp_parser_ilist_types.mod base_hooks.mod string_utilities.mod message_passing.mod cp_para_env.mod kinds.mod cp_files.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_types.mod' due to: cp_parser_types.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_status_types.mod cp_parser_inpp_types.mod cp_parser_ilist_types.mod cp_para_types.mod cp_files.mod message_passing.mod string_utilities.mod kinds.mod cp_para_env.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_enumeration_types.mod' due to: input_enumeration_types.o /build/reproducible-path/cp2k-2023.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod base_hooks.mod kinds.mod cp_log_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_enumeration_types.mod' due to: input_enumeration_types.o /build/reproducible-path/cp2k-2023.1/src/input/input_enumeration_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_units.mod' due to: cp_units.o /build/reproducible-path/cp2k-2023.1/src/common/cp_units.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod cp_log_handling.mod mathconstants.mod kinds.mod physcon.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_ilist_methods.mod' due to: cp_parser_ilist_methods.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_ilist_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_ilist_types.mod base_hooks.mod cp_log_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_inpp_methods.mod' due to: cp_parser_inpp_methods.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_inpp_types.mod string_utilities.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_inpp_methods.mod' due to: cp_parser_inpp_methods.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_inpp_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_inpp_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod cp_files.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod ps_wavelet_base.mod ps_wavelet_fft3d.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_units.mod mathconstants.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/cell_types.F cell_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod base_hooks.mod ps_wavelet_fft3d.mod ps_wavelet_base.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minimax_exp.mod' due to: minimax_exp.o /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 minimax_exp_k15.mod cp_log_handling.mod kinds.mod base_hooks.mod minimax_exp_k53.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'libint_2c_3c.mod' due to: libint_2c_3c.o /build/reproducible-path/cp2k-2023.1/src/libint_2c_3c.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 libint_wrapper.mod orbital_pointers.mod gamma.mod mathconstants.mod input_constants.mod t_c_g0.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'splines_methods.mod' due to: splines_methods.o /build/reproducible-path/cp2k-2023.1/src/splines_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod kinds.mod base_hooks.mod cp_log_handling.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_error_handling.mod' due to: cp_error_handling.o /build/reproducible-path/cp2k-2023.1/src/common/cp_error_handling.F message_passing.mod timings.mod cp_log_handling.mod kinds.mod base_hooks.mod print_messages.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minimax_exp.mod' due to: minimax_exp.o /build/reproducible-path/cp2k-2023.1/src/minimax/minimax_exp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_log_handling.mod minimax_exp_k53.mod kinds.mod minimax_exp_k15.mod true -/build/reproducible-path/cp2k-2023.1/src/common/cp_units.F:797:37: - - 797 | END FUNCTION cp_basic_unit_to_cp2k - | ^ -Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/common/cp_units.F:643:83: - - 643 | FUNCTION cp_basic_unit_to_cp2k(value, basic_kind, basic_unit, power) RESULT(res) - | ^ -note: 'res' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ai_operators_r12.mod' due to: ai_operators_r12.o /build/reproducible-path/cp2k-2023.1/src/aobasis/ai_operators_r12.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 orbital_pointers.mod gamma.mod mathconstants.mod t_c_g0.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'splines_methods.mod' due to: splines_methods.o /build/reproducible-path/cp2k-2023.1/src/splines_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod base_hooks.mod kinds.mod cp_log_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_lbfgs_types.mod' due to: almo_scf_lbfgs_types.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_lbfgs_types.mod' due to: almo_scf_lbfgs_types.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_lbfgs_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ls_matrix_exp.mod' due to: ls_matrix_exp.o /build/reproducible-path/cp2k-2023.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kinds.mod base_hooks.mod cp_log_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ls_matrix_exp.mod' due to: ls_matrix_exp.o /build/reproducible-path/cp2k-2023.1/src/ls_matrix_exp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_array_utils.mod' due to: cp_array_utils.o /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.fypp kinds.mod base_hooks.mod cp_log_handling.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_array_utils.mod' due to: cp_array_utils.o /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.F /build/reproducible-path/cp2k-2023.1/src/common/cp_array_utils.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod machine.mod kinds.mod cp_log_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bibliography.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/bibliography.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod reference_manager.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/bibliography.F bibliography.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_base.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_base.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_split.mod dbm_api.mod dbt_tas_global.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_base.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_base.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_base.F dbt_tas_base.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_parser_buffer_types.mod cp_para_types.mod cp_parser_ilist_methods.mod message_passing.mod string_utilities.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_parser_inpp_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_methods.F cp_parser_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bibliography.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_base.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_base.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_blacs_env.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod mathlib.mod message_passing.mod machine.mod cp_blacs_calls.mod kinds.mod base_hooks.mod cp_para_env.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_env.F cp_blacs_env.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_val_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_val_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod base_hooks.mod cp_units.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_val_types.F input_val_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_base.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_base.F90 /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_util.F:154:15: 154 | ELSE IF (istart + 1 <= nlim) THEN !this condition assures that we have perform good zero padding @@ -4828,12 +4869,19 @@ 92 | nd2, nd3, nlim, nwb, nwbl, nwbr, nxc, & | ^ note: 'nlim' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_gaussian.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 minimax_exp.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_blacs_env.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cg_test.mod' due to: cg_test.o /build/reproducible-path/cp2k-2023.1/src/common/cg_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lebedev.mod mathconstants.mod cp_log_handling.mod kinds.mod spherical_harmonics.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_parser_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_types.mod cp_para_types.mod base_hooks.mod cp_parser_ilist_methods.mod string_utilities.mod message_passing.mod cp_log_handling.mod cp_parser_inpp_methods.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_methods.F cp_parser_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_val_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_types.mod' due to: cell_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_units.mod mathconstants.mod kinds.mod mathlib.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_parser_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_blacs_env.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod cp_blacs_calls.mod cp_array_utils.mod message_passing.mod cp_para_env.mod machine.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_env.F cp_blacs_env.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_util.mod' due to: ps_wavelet_util.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod base_hooks.mod ps_wavelet_fft3d.mod ps_wavelet_base.mod mathconstants.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_blacs_env.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_neighbor_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod exclusion_types.mod base_hooks.mod kinds.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_methods.F:1371:33: 1371 | object8 = object8*iz8 @@ -4844,11 +4892,9 @@ 1331 | INTEGER(KIND=int_8) :: iz8, object8 | ^ note: 'object8' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_gaussian.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'distribution_1d_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/distribution_1d_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod base_hooks.mod cp_para_env.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/distribution_1d_types.F distribution_1d_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_util.mod' due to: ps_wavelet_util.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod ps_wavelet_base.mod ps_wavelet_fft3d.mod kinds.mod base_hooks.mod -true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_gaussian.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod minimax_exp.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_types.F90 /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_methods.F:554:68: 554 | length = MIN(len_trim_inputline - parser%icol1 + 1, length) @@ -4859,14 +4905,12 @@ 530 | INTEGER :: i, len_trim_inputline, length | ^ note: 'length' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' distribution_1d_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_blacs_env.mod' due to: cp_blacs_env.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod mathlib.mod message_passing.mod machine.mod cp_blacs_calls.mod kinds.mod base_hooks.mod cp_para_env.mod cp_array_utils.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_kernel.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod ps_wavelet_util.mod ps_wavelet_scaling_function.mod ps_wavelet_base.mod ps_wavelet_fft3d.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'global_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/global_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_blacs_env.mod base_hooks.mod kinds.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/global_types.F global_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_kernel.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'subcell_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subcell_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod base_hooks.mod kinds.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subcell_types.F subcell_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_gaussian.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'space_groups_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/space_groups_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/space_groups_types.F space_groups_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' subcell_types.F90 /build/reproducible-path/cp2k-2023.1/src/pw/fft_tools.F:3267:62: 3267 | fft_scratch_last%fft_scratch%fft_scratch_id + 1 @@ -4877,48 +4921,44 @@ 2888 | fft_scratch_last, & | ^ note: 'fft_scratch_last' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'distribution_2d_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_log_handling.mod cp_array_utils.mod cp_blacs_env.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/distribution_2d_types.F distribution_2d_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_gaussian.mod' due to: eri_mme_gaussian.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 minimax_exp.mod mathconstants.mod base_hooks.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' global_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod cp_para_types.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_types.F almo_scf_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' distribution_2d_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ct_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/ct_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ct_types.F ct_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_base.mod' due to: dbt_tas_base.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_base.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_split.mod dbm_api.mod dbt_tas_global.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_move_types.mod parallel_rng_types.mod cp_para_types.mod base_hooks.mod cp_para_env.mod tmc_stati.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_types.F tmc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' space_groups_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'distribution_1d_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/common/distribution_1d_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod base_hooks.mod cp_array_utils.mod cp_para_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/common/distribution_1d_types.F distribution_1d_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_base.mod' due to: dbt_tas_base.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_base.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ct_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_units.mod' due to: cp_units.o /build/reproducible-path/cp2k-2023.1/src/common/cp_units.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_val_types.mod' due to: input_val_types.o /build/reproducible-path/cp2k-2023.1/src/input/input_val_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod base_hooks.mod cp_units.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_methods.mod' due to: cp_parser_methods.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_parser_buffer_types.mod cp_para_types.mod cp_parser_ilist_methods.mod message_passing.mod string_utilities.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_parser_inpp_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/common/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' distribution_1d_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_parser_methods.mod' due to: cp_parser_methods.o /build/reproducible-path/cp2k-2023.1/src/input/cp_parser_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_types.mod cp_para_types.mod base_hooks.mod cp_parser_ilist_methods.mod string_utilities.mod message_passing.mod cp_log_handling.mod cp_parser_inpp_methods.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod cp_units.mod mathconstants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/cell_types.F cell_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'distribution_1d_types.mod' due to: distribution_1d_types.o /build/reproducible-path/cp2k-2023.1/src/common/distribution_1d_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod base_hooks.mod cp_para_env.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_blacs_env.mod' due to: cp_blacs_env.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_blacs_env.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod cp_blacs_calls.mod cp_array_utils.mod message_passing.mod cp_para_env.mod machine.mod kinds.mod mathlib.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_struct.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_para_env.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'global_types.mod' due to: global_types.o /build/reproducible-path/cp2k-2023.1/src/global_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_blacs_env.mod base_hooks.mod kinds.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_kernel.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ps_wavelet_util.mod ps_wavelet_fft3d.mod ps_wavelet_scaling_function.mod message_passing.mod ps_wavelet_base.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_neighbor_list_types.mod' due to: fist_neighbor_list_types.o /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod exclusion_types.mod base_hooks.mod kinds.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_lattice_summation.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ao_util.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod eri_mme_gaussian.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_upf.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_upf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_parser_methods.mod periodic_table.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_upf.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_upf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod base_hooks.mod periodic_table.mod cp_parser_methods.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_upf.F atom_upf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_struct.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbcsr_vector.mod' due to: dbcsr_vector.o /build/reproducible-path/cp2k-2023.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_kernel.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'distribution_2d_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_array_utils.mod cp_log_handling.mod machine.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/distribution_2d_types.F distribution_2d_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_gaussian.mod' due to: eri_mme_gaussian.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_gaussian.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod minimax_exp.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_upf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_external_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_external_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_files.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_external_control.F cp_external_control.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'domain_submatrix_methods.mod' due to: domain_submatrix_methods.o /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_upf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' distribution_2d_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'global_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/global_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod base_hooks.mod machine.mod cp_blacs_env.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/global_types.F global_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod domain_submatrix_types.mod base_hooks.mod cp_blacs_env.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_types.F almo_scf_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' global_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'subcell_types.mod' due to: subcell_types.o /build/reproducible-path/cp2k-2023.1/src/subcell_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod base_hooks.mod kinds.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ct_types.mod' due to: ct_types.o /build/reproducible-path/cp2k-2023.1/src/ct_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbcsr_vector.mod' due to: dbcsr_vector.o /build/reproducible-path/cp2k-2023.1/src/dbcsrx/dbcsr_vector.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_external_control.F90 /build/reproducible-path/cp2k-2023.1/src/atom_upf.F:519:28: 519 | pot%rab = 0.0_dp @@ -4929,64 +4969,96 @@ 446 | INTEGER :: icount, m, mc, ms | ^ note: 'm' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'statistical_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/statistical_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_log_handling.mod kinds.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/statistical_methods.F statistical_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/cp_external_control.F:218:53: - - 218 | time_check = m_walltime() - my_start_time - | ^ -Warning: 'my_start_time' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/cp_external_control.F:106:73: - - 106 | REAL(KIND=dp) :: my_start_time, my_target_time, t1, t2, & - | ^ -note: 'my_start_time' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'domain_submatrix_methods.mod' due to: domain_submatrix_methods.o /build/reproducible-path/cp2k-2023.1/src/domain_submatrix_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ct_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/ct_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod cp_blacs_env.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ct_types.F ct_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_diis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod base_hooks.mod cp_log_handling.mod kinds.mod domain_submatrix_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ct_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'space_groups_types.mod' due to: space_groups_types.o /build/reproducible-path/cp2k-2023.1/src/motion/space_groups_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod base_hooks.mod kinds.mod +true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a' due to: dbcsr_vector.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_diis_types.F90 Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a dbcsr_vector.o +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_types.mod' due to: tmc_types.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_move_types.mod parallel_rng_types.mod cp_para_types.mod base_hooks.mod cp_para_env.mod tmc_stati.mod kinds.mod +true ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' statistical_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_message.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod message_passing.mod cp_parser_methods.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_message.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod base_hooks.mod message_passing.mod cp_parser_methods.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_message.F swarm_message.F90 -/build/reproducible-path/cp2k-2023.1/src/statistical_methods.F:440:19: - - 440 | SUBROUTINE tests(xdata, globenv) - | ^ -Warning: 'tests' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_message.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_reshape_ops.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_reshape_ops.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_util.mod dbt_tas_split.mod dbm_api.mod dbt_tas_global.mod dbt_tas_base.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_message.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_reshape_ops.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_reshape_ops.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod dbt_tas_util.mod dbt_tas_base.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_reshape_ops.F dbt_tas_reshape_ops.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_split.mod dbm_api.mod dbt_tas_global.mod dbt_tas_base.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod dbt_tas_base.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_io.F dbt_tas_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_reshape_ops.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_val_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_val_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod cp_units.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_val_types.F input_val_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_types.mod' due to: cell_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/cell_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod cp_units.mod mathconstants.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_struct.mod' due to: cp_fm_struct.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_para_env.mod machine.mod +/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:516:41: + + 516 | almo_scf_diis_error_overlap = trace + | ^ +Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:484:65: + + 484 | REAL(KIND=dp) :: trace + | ^ +note: 'trace' declared here +/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:516:41: + + 516 | almo_scf_diis_error_overlap = trace + | ^ +Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:484:65: + + 484 | REAL(KIND=dp) :: trace + | ^ +note: 'trace' declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_reshape_ops.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_keyword_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod input_val_types.mod print_messages.mod reference_manager.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_keyword_types.F input_keyword_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_io.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_linked_list_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_val_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_keyword_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'distribution_1d_types.mod' due to: distribution_1d_types.o /build/reproducible-path/cp2k-2023.1/src/common/distribution_1d_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod base_hooks.mod cp_array_utils.mod cp_para_env.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_val_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'distribution_2d_types.mod' due to: distribution_2d_types.o /build/reproducible-path/cp2k-2023.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_log_handling.mod cp_array_utils.mod cp_blacs_env.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/src/input/input_keyword_types.F:546:83: + + 546 | c_string = cp_unit_desc(keyword%unit, accept_undefined=.TRUE.) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_linked_list_input.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_struct.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod machine.mod cp_blacs_env.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_struct.F90 +/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:317:75: + + 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0 + | ^ +Warning: 'trace0' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:230:66: + + 230 | REAL(KIND=dp) :: trace0 + | ^ +note: 'trace0' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_upf.mod' due to: atom_upf.o /build/reproducible-path/cp2k-2023.1/src/atom_upf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod base_hooks.mod periodic_table.mod cp_parser_methods.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_upf.mod' due to: atom_upf.o /build/reproducible-path/cp2k-2023.1/src/atom_upf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_parser_methods.mod periodic_table.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'distribution_2d_types.mod' due to: distribution_2d_types.o /build/reproducible-path/cp2k-2023.1/src/distribution_2d_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_array_utils.mod cp_log_handling.mod machine.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_neighbor_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exclusion_types.mod cell_types.mod memory_utilities.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_types.mod' due to: almo_scf_types.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod cp_para_types.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_lattice_summation.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod ao_util.mod eri_mme_gaussian.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'global_types.mod' due to: global_types.o /build/reproducible-path/cp2k-2023.1/src/global_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod base_hooks.mod machine.mod cp_blacs_env.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi.fypp arnoldi_types.mod message_passing.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_geev.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_data_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod util.mod kinds.mod dbcsr_vector.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_data_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod base_hooks.mod kinds.mod dbcsr_vector.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_external_control.mod' due to: cp_external_control.o /build/reproducible-path/cp2k-2023.1/src/cp_external_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_files.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod base_hooks.mod message_passing.mod kinds.mod arnoldi_geev.mod dbcsr_vector.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_external_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_external_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod machine.mod kinds.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_external_control.F cp_external_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_data_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ct_types.mod' due to: ct_types.o /build/reproducible-path/cp2k-2023.1/src/ct_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod cp_blacs_env.mod kinds.mod input_constants.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_data_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'subcell_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subcell_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod util.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subcell_types.F subcell_types.F90 /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_data_methods.F:231:32: 231 | SUBROUTINE set_eval_selection(ar_data, itype) @@ -4997,7 +5069,6 @@ 345 | SUBROUTINE get_all_selected_ritz_val(ar_data, eval_out) | ^ Warning: 'get_all_selected_ritz_val' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' subcell_types.F90 /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_message.F:256:41: 256 | curr_entry => curr_entry%next @@ -5008,16 +5079,39 @@ 240 | TYPE(message_entry_type), POINTER :: curr_entry | ^ note: 'curr_entry' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_diis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod domain_submatrix_methods.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'space_groups_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/space_groups_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/space_groups_types.F space_groups_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_diis_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'statistical_methods.mod' due to: statistical_methods.o /build/reproducible-path/cp2k-2023.1/src/statistical_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_log_handling.mod kinds.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_external_control.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'statistical_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/statistical_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod base_hooks.mod cp_log_handling.mod kinds.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/statistical_methods.F statistical_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_analysis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 +/build/reproducible-path/cp2k-2023.1/src/cp_external_control.F:218:53: + + 218 | time_check = m_walltime() - my_start_time + | ^ +Warning: 'my_start_time' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/cp_external_control.F:106:73: + + 106 | REAL(KIND=dp) :: my_start_time, my_target_time, t1, t2, & + | ^ +note: 'my_start_time' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' statistical_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_message.mod' due to: swarm_message.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod base_hooks.mod message_passing.mod cp_parser_methods.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/statistical_methods.F:440:19: + + 440 | SUBROUTINE tests(xdata, globenv) + | ^ +Warning: 'tests' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a' due to: whittaker.o util.o timings_types.o timings_report.o timings_base_type.o timings.o t_sh_p_s_c.o t_c_g0.o structure_factors.o structure_factor_types.o string_utilities.o string_table.o splines.o spherical_harmonics.o routine_map.o reference_manager.o print_messages.o powell.o physcon.o periodic_table.o parallel_rng_types.o memory_utilities.o mathlib.o mathconstants.o list_timerenv.o list_routinestat.o list_routinereport.o list_callstackentry.o list.o linear_systems.o lebedev.o lapack.o kahan_sum.o gamma.o fparser.o eigenvalueproblems.o distribution_1d_types.o d3_poly.o cp_units.o cp_result_types.o cp_result_methods.o cp_para_types.o cp_para_env.o cp_min_heap.o cp_log_handling.o cp_iter_types.o cp_files.o cp_error_handling.o cp_array_utils.o cp_array_sort.o cg_test.o callgraph.o bibliography.o bessel_lib.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_analysis_types.F90 +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a whittaker.o util.o timings_types.o timings_report.o timings_base_type.o timings.o t_sh_p_s_c.o t_c_g0.o structure_factors.o structure_factor_types.o string_utilities.o string_table.o splines.o spherical_harmonics.o routine_map.o reference_manager.o print_messages.o powell.o physcon.o periodic_table.o parallel_rng_types.o memory_utilities.o mathlib.o mathconstants.o list_timerenv.o list_routinestat.o list_routinereport.o list_callstackentry.o list.o linear_systems.o lebedev.o lapack.o kahan_sum.o gamma.o fparser.o eigenvalueproblems.o distribution_1d_types.o d3_poly.o cp_units.o cp_result_types.o cp_result_methods.o cp_para_types.o cp_para_env.o cp_min_heap.o cp_log_handling.o cp_iter_types.o cp_files.o cp_error_handling.o cp_array_utils.o cp_array_sort.o cg_test.o callgraph.o bibliography.o bessel_lib.o +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_io.mod' due to: dbt_tas_io.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod dbt_tas_base.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_message.mod' due to: swarm_message.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_message.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod message_passing.mod cp_parser_methods.mod base_hooks.mod kinds.mod +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_linked_list_input.mod' due to: cp_linked_list_input.o /build/reproducible-path/cp2k-2023.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_val_types.mod base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' space_groups_types.F90 /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_data_methods.F:337:37: 337 | END FUNCTION get_selected_ritz_val @@ -5028,121 +5122,75 @@ 312 | FUNCTION get_selected_ritz_val(ar_data, ind) RESULT(eval_out) | ^ note: 'eval_out' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod parallel_rng_types.mod tmc_move_types.mod cp_para_types.mod tmc_stati.mod kinds.mod base_hooks.mod cp_para_env.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_types.F tmc_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_io.mod' due to: dbt_tas_io.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_split.mod dbm_api.mod dbt_tas_global.mod dbt_tas_base.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_val_types.mod' due to: input_val_types.o /build/reproducible-path/cp2k-2023.1/src/input/input_val_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod cp_units.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod cp_blacs_calls.mod cp_blacs_env.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F cp_fm_types.F90 -/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:516:41: - - 516 | almo_scf_diis_error_overlap = trace - | ^ -Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:484:65: - - 484 | REAL(KIND=dp) :: trace - | ^ -note: 'trace' declared here -/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:516:41: - - 516 | almo_scf_diis_error_overlap = trace - | ^ -Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:484:65: - - 484 | REAL(KIND=dp) :: trace - | ^ -note: 'trace' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_kernel.mod' due to: ps_wavelet_kernel.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod ps_wavelet_util.mod ps_wavelet_scaling_function.mod ps_wavelet_base.mod ps_wavelet_fft3d.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_neighbor_list_types.mod' due to: fist_neighbor_list_types.o /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exclusion_types.mod cell_types.mod memory_utilities.mod base_hooks.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'subcell_types.mod' due to: subcell_types.o /build/reproducible-path/cp2k-2023.1/src/subcell_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod util.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'space_groups_types.mod' due to: space_groups_types.o /build/reproducible-path/cp2k-2023.1/src/motion/space_groups_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:317:75: - - 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0 - | ^ -Warning: 'trace0' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F:230:66: - - 230 | REAL(KIND=dp) :: trace0 - | ^ -note: 'trace0' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_types.mod' due to: tmc_types.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod parallel_rng_types.mod tmc_move_types.mod cp_para_types.mod tmc_stati.mod kinds.mod base_hooks.mod cp_para_env.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bibliography.mod' due to: bibliography.o /build/reproducible-path/cp2k-2023.1/src/common/bibliography.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod reference_manager.mod string_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a' due to: whittaker.o util.o timings_types.o timings_report.o timings_base_type.o timings.o t_sh_p_s_c.o t_c_g0.o structure_factors.o structure_factor_types.o string_utilities.o string_table.o splines.o spherical_harmonics.o routine_map.o reference_manager.o print_messages.o powell.o physcon.o periodic_table.o parallel_rng_types.o memory_utilities.o mathlib.o mathconstants.o list_timerenv.o list_routinestat.o list_routinereport.o list_callstackentry.o list.o linear_systems.o lebedev.o lapack.o kahan_sum.o gamma.o fparser.o eigenvalueproblems.o distribution_1d_types.o d3_poly.o cp_units.o cp_result_types.o cp_result_methods.o cp_para_types.o cp_para_env.o cp_min_heap.o cp_log_handling.o cp_iter_types.o cp_files.o cp_error_handling.o cp_array_utils.o cp_array_sort.o cg_test.o callgraph.o bibliography.o bessel_lib.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a whittaker.o util.o timings_types.o timings_report.o timings_base_type.o timings.o t_sh_p_s_c.o t_c_g0.o structure_factors.o structure_factor_types.o string_utilities.o string_table.o splines.o spherical_harmonics.o routine_map.o reference_manager.o print_messages.o powell.o physcon.o periodic_table.o parallel_rng_types.o memory_utilities.o mathlib.o mathconstants.o list_timerenv.o list_routinestat.o list_routinereport.o list_callstackentry.o list.o linear_systems.o lebedev.o lapack.o kahan_sum.o gamma.o fparser.o eigenvalueproblems.o distribution_1d_types.o d3_poly.o cp_units.o cp_result_types.o cp_result_methods.o cp_para_types.o cp_para_env.o cp_min_heap.o cp_log_handling.o cp_iter_types.o cp_files.o cp_error_handling.o cp_array_utils.o cp_array_sort.o cg_test.o callgraph.o bibliography.o bessel_lib.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_reshape_ops.mod' due to: dbt_tas_reshape_ops.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_reshape_ops.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_util.mod dbt_tas_split.mod dbm_api.mod dbt_tas_global.mod dbt_tas_base.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_struct.mod' due to: cp_fm_struct.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_struct.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod machine.mod cp_blacs_env.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_keyword_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod input_val_types.mod string_utilities.mod cp_units.mod reference_manager.mod kinds.mod print_messages.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_keyword_types.F input_keyword_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_linked_list_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_val_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_keyword_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bibliography.mod' due to: bibliography.o /build/reproducible-path/cp2k-2023.1/src/common/bibliography.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod reference_manager.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_kernel.mod' due to: ps_wavelet_kernel.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_kernel.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod ps_wavelet_util.mod ps_wavelet_fft3d.mod ps_wavelet_scaling_function.mod message_passing.mod ps_wavelet_base.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/src/input/input_keyword_types.F:546:83: - - 546 | c_string = cp_unit_desc(keyword%unit, accept_undefined=.TRUE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:156: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/graph.psmp' due to: graph.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/graph.psmp graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_linked_list_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pexsi_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pexsi_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod bibliography.mod cp_log_handling.mod pexsi_interface.mod kinds.mod base_hooks.mod +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/graph.psmp graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pexsi_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pexsi_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod cp_log_handling.mod pexsi_interface.mod kinds.mod bibliography.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pexsi_types.F pexsi_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'arnoldi_data_methods.mod' due to: arnoldi_data_methods.o /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod util.mod kinds.mod dbcsr_vector.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_types.mod' due to: almo_scf_types.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod domain_submatrix_types.mod base_hooks.mod cp_blacs_env.mod kinds.mod input_constants.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pexsi_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'submatrix_dissection.o' due to: /build/reproducible-path/cp2k-2023.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 submatrix_types.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pexsi_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'submatrix_dissection.o' due to: /build/reproducible-path/cp2k-2023.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 submatrix_types.mod base_hooks.mod message_passing.mod kinds.mod bibliography.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/submatrix_dissection.F submatrix_dissection.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cryssym.o' due to: /build/reproducible-path/cp2k-2023.1/src/cryssym.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod bibliography.mod spglib_f08.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cryssym.o' due to: /build/reproducible-path/cp2k-2023.1/src/cryssym.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod spglib_f08.mod kinds.mod bibliography.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cryssym.F cryssym.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' submatrix_dissection.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_diis_types.mod' due to: almo_scf_diis_types.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod domain_submatrix_methods.mod cp_log_handling.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' submatrix_dissection.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_external_control.mod' due to: cp_external_control.o /build/reproducible-path/cp2k-2023.1/src/cp_external_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod machine.mod kinds.mod cp_files.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_diis_types.mod' due to: almo_scf_diis_types.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_diis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 domain_submatrix_types.mod base_hooks.mod cp_log_handling.mod kinds.mod domain_submatrix_methods.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cryssym.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'statistical_methods.mod' due to: statistical_methods.o /build/reproducible-path/cp2k-2023.1/src/statistical_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod base_hooks.mod cp_log_handling.mod kinds.mod util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_analysis_types.mod' due to: tmc_analysis_types.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_types.mod base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cryssym.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_analysis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod tmc_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_analysis_types.F90 /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:172: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/memory_utilities_unittest.psmp' due to: memory_utilities_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/memory_utilities_unittest.psmp memory_utilities_unittest.o -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/memory_utilities_unittest.psmp memory_utilities_unittest.o -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:168: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/parallel_rng_types_unittest.psmp' due to: parallel_rng_types_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/parallel_rng_types_unittest.psmp parallel_rng_types_unittest.o -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/parallel_rng_types_unittest.psmp parallel_rng_types_unittest.o -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:188: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbm_miniapp.psmp' due to: dbm_miniapp.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbm_miniapp.psmp dbm_miniapp.o -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_mm.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_mm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod dbt_tas_reshape_ops.mod message_passing.mod dbt_tas_util.mod dbt_tas_split.mod dbm_api.mod dbt_tas_global.mod dbt_tas_io.mod dbt_tas_base.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_mm.F dbt_tas_mm.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_linked_list_input.mod' due to: cp_linked_list_input.o /build/reproducible-path/cp2k-2023.1/src/input/cp_linked_list_input.F /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_val_types.mod base_hooks.mod kinds.mod +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbm_miniapp.psmp dbm_miniapp.o -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_reshape_ops.mod' due to: dbt_tas_reshape_ops.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_reshape_ops.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod dbt_tas_util.mod dbt_tas_base.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pexsi_types.mod' due to: pexsi_types.o /build/reproducible-path/cp2k-2023.1/src/pexsi_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 message_passing.mod bibliography.mod cp_log_handling.mod pexsi_interface.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod base_hooks.mod cp_blacs_calls.mod message_passing.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F cp_fm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pexsi_types.mod' due to: pexsi_types.o /build/reproducible-path/cp2k-2023.1/src/pexsi_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod cp_log_handling.mod pexsi_interface.mod kinds.mod bibliography.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_mm.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_analysis_types.mod' due to: tmc_analysis_types.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod tmc_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'arnoldi_data_methods.mod' due to: arnoldi_data_methods.o /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_data_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod base_hooks.mod kinds.mod dbcsr_vector.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cryssym.mod' due to: cryssym.o /build/reproducible-path/cp2k-2023.1/src/cryssym.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 string_utilities.mod bibliography.mod spglib_f08.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_mm.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_mm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod dbt_tas_util.mod dbt_tas_reshape_ops.mod dbt_tas_base.mod kinds.mod dbt_tas_io.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_mm.F dbt_tas_mm.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_keyword_types.mod' due to: input_keyword_types.o /build/reproducible-path/cp2k-2023.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod input_val_types.mod print_messages.mod reference_manager.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:1087:10: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_mm.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_section_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod print_messages.mod reference_manager.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod cp_linked_list_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F input_section_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_section_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_compression_core_methods.mod' due to: hfx_compression_core_methods.o /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a' due to: hfx_contraction_methods.o hfx_contract_block.o hfx_compression_core_methods.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a hfx_contraction_methods.o hfx_contract_block.o hfx_compression_core_methods.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a +/build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F:890:3: - 1087 | IF (docol) THEN - | ^ -Warning: 'docol' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:1061:65: + 890 | FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res) + | ^ +Warning: 'section_get_cval' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F:922:3: - 1061 | LOGICAL :: docol - | ^ -note: 'docol' was declared here + 922 | FUNCTION section_get_rvals(section_vals, keyword_name) RESULT(res) + | ^ +Warning: 'section_get_rvals' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cryssym.mod' due to: cryssym.o /build/reproducible-path/cp2k-2023.1/src/cryssym.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod string_utilities.mod spglib_f08.mod kinds.mod bibliography.mod +true /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_mm.F:1050:48: 1050 | nsplit_prv = INT((d1 - 1)/d2 + 1) @@ -5163,26 +5211,6 @@ 928 | INTEGER(KIND=int_8) :: d1, d2, nze1, nze2 | ^ note: 'd1' was declared here -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:926:57: - - 926 | ir_max_vec(mepos) = row_indices(ir_max_local) - | ^ -Warning: 'ir_max_local' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:871:97: - - 871 | INTEGER :: handle, i, ic_max_local, ir_max_local, & - | ^ -note: 'ir_max_local' was declared here -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:927:57: - - 927 | ic_max_vec(mepos) = col_indices(ic_max_local) - | ^ -Warning: 'ic_max_local' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:871:83: - - 871 | INTEGER :: handle, i, ic_max_local, ir_max_local, & - | ^ -note: 'ic_max_local' was declared here /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_mm.F:1514:120: 1514 | nsplit = INT(MIN(INT(numnodes, KIND=int_8), NINT(REAL(max_nze, dp)/(REAL(min_nze, dp)*s_opt_factor), KIND=int_8))) @@ -5233,193 +5261,57 @@ 140 | TYPE(dbt_tas_type), POINTER :: matrix_a_rep, matrix_a_rs, matrix_b_rep, & | ^ note: 'matrix_b_rep' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_keyword_types.mod' due to: input_keyword_types.o /build/reproducible-path/cp2k-2023.1/src/input/input_keyword_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod input_val_types.mod string_utilities.mod cp_units.mod reference_manager.mod kinds.mod print_messages.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_section_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod string_utilities.mod cp_linked_list_input.mod cp_log_handling.mod reference_manager.mod kinds.mod print_messages.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F input_section_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_types.mod' due to: cp_fm_types.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod cp_blacs_calls.mod cp_blacs_env.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_section_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_linked_list_fm.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_vect.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_vect.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_vect.F cp_fm_vect.F90 -/build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F:890:3: - - 890 | FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res) - | ^ -Warning: 'section_get_cval' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F:922:3: - - 922 | FUNCTION section_get_rvals(section_vals, keyword_name) RESULT(res) - | ^ -Warning: 'section_get_rvals' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_linked_list_fm.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_diag_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod mathlib.mod message_passing.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_para_env.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_vect.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_vect.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_basic_linalg.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod mathlib.mod message_passing.mod kahan_sum.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_diag_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_cholesky.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_basic_linalg.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_cfm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod mathconstants.mod cp_blacs_calls.mod cp_blacs_env.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_cholesky.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_para_env.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner_types.F preconditioner_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_cfm_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_vect.mod' due to: cp_fm_vect.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_vect.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:268:32: - - 268 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign) - | ^ -Warning: 'cp_fm_lu_decompose' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:1882:29: - - 1882 | SUBROUTINE cp_fm_lu_invert(matrix, info_out) - | ^ -Warning: 'cp_fm_lu_invert' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:2101:3: - - 2101 | FUNCTION cp_fm_latra(matrix) RESULT(res) - | ^ -Warning: 'cp_fm_latra' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'et_coupling_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/et_coupling_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/et_coupling_types.F et_coupling_types.F90 -/build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_types.F:724:38: - - 724 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) - | ^ -Warning: 'cp_cfm_to_cfm_triangular' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_diis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_diis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_diis_types.F qs_diis_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_compression_core_methods.mod' due to: hfx_compression_core_methods.o /build/reproducible-path/cp2k-2023.1/src/hfxbase/hfx_compression_core_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' et_coupling_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_diis_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_laplace.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_laplace.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_laplace.F mp2_laplace.F90 -/build/reproducible-path/cp2k-2023.1/src/et_coupling_types.F:74:34: +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:1087:10: - 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) - | ^ -Warning: 'get_et_coupling_type' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a' due to: hfx_contraction_methods.o hfx_contract_block.o hfx_compression_core_methods.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a hfx_contraction_methods.o hfx_contract_block.o hfx_compression_core_methods.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_mm.mod' due to: dbt_tas_mm.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_mm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod dbt_tas_reshape_ops.mod message_passing.mod dbt_tas_util.mod dbt_tas_split.mod dbm_api.mod dbt_tas_global.mod dbt_tas_io.mod dbt_tas_base.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_laplace.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_linked_list_fm.mod' due to: cp_linked_list_fm.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_diag_utils.mod' due to: cp_fm_diag_utils.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod mathlib.mod message_passing.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_para_env.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_cholesky.mod' due to: cp_fm_cholesky.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner_types.mod' due to: preconditioner_types.o /build/reproducible-path/cp2k-2023.1/src/preconditioner_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_para_env.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'et_coupling_types.mod' due to: et_coupling_types.o /build/reproducible-path/cp2k-2023.1/src/et_coupling_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_diis_types.mod' due to: qs_diis_types.o /build/reproducible-path/cp2k-2023.1/src/qs_diis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_laplace.mod' due to: mp2_laplace.o /build/reproducible-path/cp2k-2023.1/src/mp2_laplace.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod dbt_index.mod message_passing.mod dbt_tas_split.mod dbm_api.mod dbt_allocate_wrap.mod dbt_tas_mm.mod dbt_tas_global.mod dbt_array_list_methods.mod dbt_tas_base.mod kinds.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_types.F dbt_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_split.mod dbm_api.mod dbt_tas_mm.mod dbt_tas_global.mod dbt_tas_base.mod dbm_tests.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_test.F dbt_tas_test.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fft_tools.mod' due to: fft_tools.o /build/reproducible-path/cp2k-2023.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod fast.mod message_passing.mod offload_api.mod fft_lib.mod cp_log_handling.mod fft_plan.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_test.F90 -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:2055:34: + 1087 | IF (docol) THEN + | ^ +Warning: 'docol' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:1061:65: - 2055 | ALLOCATE (work_sp(lwork)) - | ^ -Warning: 'lwork' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:2018:44: + 1061 | LOGICAL :: docol + | ^ +note: 'docol' was declared here +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:926:57: - 2018 | INTEGER :: nrows, ncols, handle, lwork, nrows_local, ncols_local - | ^ -note: 'lwork' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_pool_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_pool_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_linked_list_fm.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'submatrix_dissection.mod' due to: submatrix_dissection.o /build/reproducible-path/cp2k-2023.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 submatrix_types.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_pool_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_grid_info.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod base_hooks.mod kinds.mod fft_tools.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_info.F pw_grid_info.F90 -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_pool_types.F:268:27: + 926 | ir_max_vec(mepos) = row_indices(ir_max_local) + | ^ +Warning: 'ir_max_local' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:871:97: - 268 | SUBROUTINE fm_pools_copy(source_pools, target_pools) - | ^ -Warning: 'fm_pools_copy' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_grid_info.F90 -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:1615:45: + 871 | INTEGER :: handle, i, ic_max_local, ir_max_local, & + | ^ +note: 'ir_max_local' was declared here +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:927:57: - 1615 | IF (PRESENT(det_a)) det_a = determinant - | ^ -Warning: 'determinant' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:1456:61: + 927 | ic_max_vec(mepos) = col_indices(ic_max_local) + | ^ +Warning: 'ic_max_local' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F:871:83: - 1456 | REAL(KIND=dp) :: determinant, my_eps_svd - | ^ -note: 'determinant' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_grid_info.mod' due to: pw_grid_info.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod base_hooks.mod kinds.mod fft_tools.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_pool_types.mod' due to: cp_fm_pool_types.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_pool_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_linked_list_fm.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_grids.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod message_passing.mod mathlib.mod offload_api.mod mathconstants.mod pw_grid_info.mod kinds.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F pw_grids.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_cfm_types.mod' due to: cp_cfm_types.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod mathconstants.mod cp_blacs_calls.mod cp_blacs_env.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_test.mod' due to: dbt_tas_test.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod dbt_tas_split.mod dbm_api.mod dbt_tas_mm.mod dbt_tas_global.mod dbt_tas_base.mod dbm_tests.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:13 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_grids.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a' due to: dbt_tas_util.o dbt_tas_types.o dbt_tas_test.o dbt_tas_split.o dbt_tas_reshape_ops.o dbt_tas_mm.o dbt_tas_io.o dbt_tas_global.o dbt_tas_base.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a dbt_tas_util.o dbt_tas_types.o dbt_tas_test.o dbt_tas_split.o dbt_tas_reshape_ops.o dbt_tas_mm.o dbt_tas_io.o dbt_tas_global.o dbt_tas_base.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod message_passing.mod offload_api.mod dbm_api.mod dbt_tas_io.mod dbt_tas_base.mod kinds.mod base_hooks.mod dbt_tas_test.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_unittest.F dbt_tas_unittest.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_section_types.mod' due to: input_section_types.o /build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod string_utilities.mod cp_linked_list_input.mod cp_log_handling.mod reference_manager.mod kinds.mod print_messages.mod base_hooks.mod + 871 | INTEGER :: handle, i, ic_max_local, ir_max_local, & + | ^ +note: 'ic_max_local' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_section_types.mod' due to: input_section_types.o /build/reproducible-path/cp2k-2023.1/src/input/input_section_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod print_messages.mod reference_manager.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod cp_linked_list_input.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_unittest.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_cfm_basic_linalg.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod message_passing.mod kahan_sum.mod mathconstants.mod cp_blacs_env.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'basis_set_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod input_val_types.mod cp_para_types.mod string_utilities.mod orbital_transformation_matrices.mod cp_linked_list_input.mod bibliography.mod orbital_pointers.mod cp_parser_methods.mod mathconstants.mod orbital_symbols.mod ai_coulomb.mod sto_ng.mod kinds.mod memory_utilities.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'external_potential_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_val_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod orbital_transformation_matrices.mod string_utilities.mod periodic_table.mod cp_linked_list_input.mod cp_parser_methods.mod mathconstants.mod kinds.mod ao_util.mod bibliography.mod mathlib.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F external_potential_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_output_handling.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cp_iter_types.mod input_section_types.mod base_hooks.mod string_utilities.mod message_passing.mod cp_log_handling.mod machine.mod kinds.mod cp_files.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_output_handling.F cp_output_handling.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'basis_set_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_val_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod orbital_transformation_matrices.mod sto_ng.mod string_utilities.mod ai_coulomb.mod orbital_symbols.mod cp_linked_list_input.mod cp_parser_methods.mod mathconstants.mod kinds.mod util.mod bibliography.mod memory_utilities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_types.F basis_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_cfm_basic_linalg.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_parsing.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_parsing.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod cp_linked_list_input.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_parsing.F input_parsing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' basis_set_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'metadynamics_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadynamics_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod cp_para_types.mod kinds.mod base_hooks.mod cp_para_env.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadynamics_types.F metadynamics_types.F90 -/build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F:108:37: - - 108 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) - | ^ -Warning: 'cp_cfm_schur_product_cc' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_parsing.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_density_mixing_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod qs_rho_atom_types.mod string_utilities.mod ao_util.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 -/build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F:1273:28: - - 1273 | ALLOCATE (work(lwork)) - | ^ -Warning: 'lwork' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F:1233:73: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_output_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' external_potential_types.F90 +/build/reproducible-path/cp2k-2023.1/src/input/cp_output_handling.F:725:23: - 1233 | INTEGER :: handle, lwork, ncols, ncols_local, & - | ^ -note: 'lwork' was declared here + 725 | outName = outPath + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_parsing.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/input_parsing.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cp_parser_types.mod input_enumeration_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod cp_linked_list_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/input_parsing.F input_parsing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' basis_set_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dispersion_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_types.F qs_dispersion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_parsing.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_types.F:503:37: 503 | bout%name = bout%name//bad%name @@ -5430,83 +5322,33 @@ 369 | pbasis%name = basis_set%name//"_primitive" | 1 Warning: CHARACTER expression will be truncated in assignment (80/90) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' metadynamics_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dispersion_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod input_section_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_types.F qs_dispersion_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_density_mixing_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dispersion_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_opt_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_opt_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_cdft_opt_types.F qs_cdft_opt_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mom_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mom_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mom_types.F qs_mom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_opt_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_field.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_field.F input_cp2k_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_field.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_libxc_wrap.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_kpoints.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_libxc_wrap.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_linked_list_input.mod atom_upf.mod cp_parser_methods.mod mathconstants.mod periodic_table.mod bessel_lib.mod input_constants.mod qs_grid_atom.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dispersion_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod periodic_table.mod cp_linked_list_input.mod bessel_lib.mod atom_upf.mod cp_parser_methods.mod mathconstants.mod qs_grid_atom.mod kinds.mod input_constants.mod bibliography.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_types.F atom_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_external.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_external.F input_cp2k_external.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_kpoints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_distribution.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod string_utilities.mod input_constants.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_external.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod bibliography.mod cp_units.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_input.F qs_fb_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_distribution.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_exstate.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_exstate.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod string_utilities.mod input_constants.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_exstate.F input_cp2k_exstate.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_opt_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_kpoints.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rel_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/rel_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rel_control_types.F rel_control_types.F90 -/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1413:29: - - 1413 | DO n = nlim(1), nlim(2) - | ^ -Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1384:94: - - 1384 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn - | ^ -note: 'nlim' declared here -/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1413:29: - - 1413 | DO n = nlim(1), nlim(2) - | ^ -Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1384:94: - - 1384 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn - | ^ -note: 'nlim' declared here -/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1008:17: - - 1008 | .OR. .NOT. blocking) THEN - | ^ -Warning: 'blocking' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:804:68: - - 804 | LOGICAL :: blocking - | ^ -note: 'blocking' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1403:31: - - 1403 | nlim(2) = n_upperlimit - | ^ -Warning: 'n_upperlimit' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1384:85: - - 1384 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn - | ^ -note: 'n_upperlimit' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_exstate.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_exstate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_kpoints.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_density_mixing_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod qs_rho_atom_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod ao_util.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_field.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_field.F input_cp2k_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rel_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_density_mixing_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mom_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mom_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mom_types.F qs_mom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_field.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_libxc_wrap.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mom_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_external.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_external.F input_cp2k_external.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_libxc_wrap.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_types.F:2607:37: 2607 | ss = ss + sss*ca(i)*cb(j) @@ -5517,155 +5359,9 @@ 2587 | REAL(KIND=dp) :: ab, ai, aj, s00, sss | ^ note: 'sss' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_block_davidson_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod input_section_types.mod cp_fm_struct.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rel_control_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_efield_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_efield_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_efield_types.F fist_efield_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_block_davidson_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'extended_system_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/extended_system_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod bibliography.mod input_constants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/extended_system_types.F extended_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:31:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_lattice_summation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_efield_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermal_region_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_types.F thermal_region_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' extended_system_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'free_energy_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/free_energy_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/free_energy_types.F free_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermal_region_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'reftraj_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod cp_para_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_types.F reftraj_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' free_energy_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_parsing.mod' due to: input_parsing.o /build/reproducible-path/cp2k-2023.1/src/input/input_parsing.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod cp_linked_list_input.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gaussian_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod qmmm_gaussian_types.mod cp_para_types.mod string_utilities.mod cp_parser_methods.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod qmmm_gaussian_data.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' reftraj_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_read.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod cp_para_types.mod cp_units.mod base_hooks.mod input_parsing.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_read.F input_cp2k_read.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_atprop.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod bibliography.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_read.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gopt_param_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/gopt_param_types.F gopt_param_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_atprop.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod cell_types.mod input_section_types.mod parallel_rng_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_types.F helium_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gopt_param_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_restart_rng.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_restart_rng.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod input_val_types.mod string_utilities.mod cp_linked_list_input.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_restart_rng.F input_restart_rng.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_basis_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_basis_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod input_section_types.mod optimize_basis_types.mod powell.mod string_utilities.mod cp_parser_methods.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_files.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_basis_utils.F optimize_basis_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/motion/helium_types.F:386:41: - - 386 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) - | ^ -Warning: 'helium_destroy_real_arr_ptr' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_restart_rng.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_green_cache.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_green_cache.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod util.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_green_cache.F negf_green_cache.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_basis_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_optimize_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_optimize_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_optimize_basis.F input_optimize_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_green_cache.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_history.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_history.F glbopt_history.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_optimize_basis.F90 -/build/reproducible-path/cp2k-2023.1/src/atom_types.F:2908:56: - - 2908 | READ (line_att, *) potential%nrpot(ic, l), potential%bpot(ic, l), potential%apot(ic, l) - | ^ -Warning: 'l' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_types.F:2851:68: - - 2851 | INTEGER :: i, ic, l, ncore, nel - | ^ -note: 'l' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_mpi.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod input_section_types.mod message_passing.mod swarm_message.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod cp_files.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_mpi.F swarm_mpi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_history.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_mpi.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_move_handle.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod input_section_types.mod tmc_types.mod tmc_move_types.mod string_utilities.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod tmc_stati.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 -/build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F:1078:101: - - 1078 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc - | ^ -Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F:671:70: - - 671 | REAL(KIND=dp) :: radius, rc - | ^ -note: 'rc' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_move_handle.F90 -/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:160: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbt_tas_unittest.psmp' due to: dbt_tas_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbt_tas_unittest.psmp dbt_tas_unittest.o -lcp2ktas -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'external_potential_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod input_val_types.mod cp_para_types.mod mathlib.mod string_utilities.mod ao_util.mod cp_linked_list_input.mod bibliography.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_parser_methods.mod mathconstants.mod periodic_table.mod kinds.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F external_potential_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_output_handling.o' due to: /build/reproducible-path/cp2k-2023.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod input_keyword_types.mod input_section_types.mod message_passing.mod string_utilities.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod cp_files.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input/cp_output_handling.F cp_output_handling.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_basic_linalg.mod' due to: cp_fm_basic_linalg.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod mathlib.mod message_passing.mod kahan_sum.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod machine.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' external_potential_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_cfm_basic_linalg.mod' due to: cp_cfm_basic_linalg.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod message_passing.mod kahan_sum.mod mathconstants.mod cp_blacs_env.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/input/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_output_handling.F90 -/build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F:653:101: - - 653 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc - | ^ -Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F:237:81: - - 237 | REAL(KIND=dp) :: my_radius, radius, rc - | ^ -note: 'rc' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_operations.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod distribution_2d_types.mod cp_para_types.mod cp_fm_struct.mod mathlib.mod message_passing.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 -/build/reproducible-path/cp2k-2023.1/src/input/cp_output_handling.F:725:23: - - 725 | outName = outPath - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'metadynamics_types.mod' due to: metadynamics_types.o /build/reproducible-path/cp2k-2023.1/src/metadynamics_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod cp_para_types.mod kinds.mod base_hooks.mod cp_para_env.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_density_mixing_types.mod' due to: qs_density_mixing_types.o /build/reproducible-path/cp2k-2023.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod qs_rho_atom_types.mod string_utilities.mod ao_util.mod input_constants.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_operations.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dispersion_types.mod' due to: qs_dispersion_types.o /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod input_section_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_opt_types.mod' due to: qs_cdft_opt_types.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_opt_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mom_types.mod' due to: qs_mom_types.o /build/reproducible-path/cp2k-2023.1/src/qs_mom_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_field.mod' due to: input_cp2k_field.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_libxc_wrap.mod' due to: xc_libxc_wrap.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_kpoints.mod' due to: input_cp2k_kpoints.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_external.mod' due to: input_cp2k_external.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_distribution.mod' due to: input_cp2k_distribution.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod string_utilities.mod input_constants.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_input.mod' due to: qs_fb_input.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod bibliography.mod cp_units.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_exstate.mod' due to: input_cp2k_exstate.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_exstate.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod string_utilities.mod input_constants.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rel_control_types.mod' due to: rel_control_types.o /build/reproducible-path/cp2k-2023.1/src/rel_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_block_davidson_types.mod' due to: qs_block_davidson_types.o /build/reproducible-path/cp2k-2023.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod input_section_types.mod cp_fm_struct.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_efield_types.mod' due to: fist_efield_types.o /build/reproducible-path/cp2k-2023.1/src/fist_efield_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'extended_system_types.mod' due to: extended_system_types.o /build/reproducible-path/cp2k-2023.1/src/extended_system_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod bibliography.mod input_constants.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermal_region_types.mod' due to: thermal_region_types.o /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'free_energy_types.mod' due to: free_energy_types.o /build/reproducible-path/cp2k-2023.1/src/free_energy_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod -true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod cp_units.mod kinds.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_input.F qs_fb_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_external.F90 /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F:2338:120: 2338 | WRITE (line_att, '(A)') " # Potential name: "//apname2(:strlen2)//" for symbol: "//symbol2(:strlen1) @@ -5686,63 +5382,30 @@ 1761 | nprj_ppnl, nprj_ppnl_max, strlen1, & | ^ note: 'strlen1' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'reftraj_types.mod' due to: reftraj_types.o /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod cp_para_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F:298:16: - - 298 | IF (move_types%mv_weight(ind) .GT. 0.0) THEN - | ^ -Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F:77:80: - - 77 | INTEGER :: i, i_rep, i_tmp, ind, n_items, & - | ^ -note: 'ind' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'parallel_gemm_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/parallel_gemm_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod offload_api.mod input_constants.mod cp_cfm_basic_linalg.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/parallel_gemm_api.F parallel_gemm_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_check.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod cp_para_types.mod xc_input_constants.mod cp_units.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod base_hooks.mod input_parsing.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_check.F input_cp2k_check.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"parallel_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' parallel_gemm_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_charge_mixing.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod cp_para_types.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_charge_mixing.F qs_charge_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_check.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gaussian_input.mod' due to: qmmm_gaussian_input.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod qmmm_gaussian_types.mod cp_para_types.mod string_utilities.mod cp_parser_methods.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod qmmm_gaussian_data.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_read.mod' due to: input_cp2k_read.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod cp_para_types.mod cp_units.mod base_hooks.mod input_parsing.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_charge_mixing.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_atprop.mod' due to: input_cp2k_atprop.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod bibliography.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gopt_param_types.mod' due to: gopt_param_types.o /build/reproducible-path/cp2k-2023.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_types.mod' due to: helium_types.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod cell_types.mod input_section_types.mod parallel_rng_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_restart_rng.mod' due to: input_restart_rng.o /build/reproducible-path/cp2k-2023.1/src/input_restart_rng.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod input_val_types.mod string_utilities.mod cp_linked_list_input.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_green_cache.mod' due to: negf_green_cache.o /build/reproducible-path/cp2k-2023.1/src/negf_green_cache.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod util.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_integr_simpson.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod mathconstants.mod negf_integr_utils.mod cp_cfm_basic_linalg.mod kinds.mod cp_fm_basic_linalg.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_integr_simpson.F negf_integr_simpson.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_integr_cc.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod kahan_sum.mod mathconstants.mod negf_integr_utils.mod cp_cfm_basic_linalg.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod fft_tools.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F negf_integr_cc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_optimize_basis.mod' due to: input_optimize_basis.o /build/reproducible-path/cp2k-2023.1/src/input_optimize_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_constants.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_integr_simpson.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_history.mod' due to: glbopt_history.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_integr_cc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_mpi.mod' due to: swarm_mpi.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod input_section_types.mod message_passing.mod swarm_message.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod cp_files.mod machine.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_move_handle.mod' due to: tmc_move_handle.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod input_section_types.mod tmc_types.mod tmc_move_types.mod string_utilities.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod tmc_stati.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_types.mod' due to: dbt_types.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod dbt_index.mod message_passing.mod dbt_tas_split.mod dbm_api.mod dbt_allocate_wrap.mod dbt_tas_mm.mod dbt_tas_global.mod dbt_array_list_methods.mod dbt_tas_base.mod kinds.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_grids.mod' due to: pw_grids.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod message_passing.mod mathlib.mod offload_api.mod mathconstants.mod pw_grid_info.mod kinds.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_output_handling.mod' due to: cp_output_handling.o /build/reproducible-path/cp2k-2023.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod input_keyword_types.mod input_section_types.mod message_passing.mod string_utilities.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod cp_files.mod machine.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_elpa.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_fm_diag_utils.mod message_passing.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_exstate.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_exstate.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_exstate.F input_cp2k_exstate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_input.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_distribution.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_exstate.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_exstate.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_efield_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_efield_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_efield_types.F fist_efield_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_distribution.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'metadynamics_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadynamics_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_para_env.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadynamics_types.F metadynamics_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_efield_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'reftraj_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_types.F reftraj_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' metadynamics_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'free_energy_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/free_energy_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/free_energy_types.F free_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' reftraj_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'extended_system_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/extended_system_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/extended_system_types.F extended_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' free_energy_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermal_region_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_types.F thermal_region_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' extended_system_types.F90 /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F:1708:120: 1708 | WRITE (line_att, '(A)') " # Potential name: "//apname2(:strlen2)//" for symbol: "//symbol2(:strlen1) @@ -5763,29 +5426,23 @@ 1573 | strlen1, strlen2 | ^ note: 'strlen1' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_cfm_diag.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_diag.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_cfm_basic_linalg.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_elpa.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a' due to: input_val_types.o input_section_types.o input_parsing.o input_keyword_types.o input_enumeration_types.o cp_parser_types.o cp_parser_status_types.o cp_parser_methods.o cp_parser_inpp_types.o cp_parser_inpp_methods.o cp_parser_ilist_types.o cp_parser_ilist_methods.o cp_parser_buffer_types.o cp_output_handling.o cp_linked_list_input.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a input_val_types.o input_section_types.o input_parsing.o input_keyword_types.o input_enumeration_types.o cp_parser_types.o cp_parser_status_types.o cp_parser_methods.o cp_parser_inpp_types.o cp_parser_inpp_methods.o cp_parser_ilist_types.o cp_parser_ilist_methods.o cp_parser_buffer_types.o cp_output_handling.o cp_linked_list_input.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a -/build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F:398:57: +/build/reproducible-path/cp2k-2023.1/src/atom_types.F:2908:56: - 398 | ALLOCATE (zdata_tmp(nnodes_half + nnodes_exist)) - | ^ -Warning: 'nnodes_half' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_operations.mod' due to: cp_dbcsr_operations.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod distribution_2d_types.mod cp_para_types.mod cp_fm_struct.mod mathlib.mod message_passing.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F:342:71: + 2908 | READ (line_att, *) potential%nrpot(ic, l), potential%bpot(ic, l), potential%apot(ic, l) + | ^ +Warning: 'l' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/atom_types.F:2851:68: - 342 | nnodes_half, nnodes_next - | ^ -note: 'nnodes_half' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_cfm_diag.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fp_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fp_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fp_types.F fp_types.F90 + 2851 | INTEGER :: i, ic, l, ncore, nel + | ^ +note: 'l' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'submatrix_dissection.mod' due to: submatrix_dissection.o /build/reproducible-path/cp2k-2023.1/src/submatrix_dissection.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 submatrix_types.mod base_hooks.mod message_passing.mod kinds.mod bibliography.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermal_region_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_parsing.mod' due to: input_parsing.o /build/reproducible-path/cp2k-2023.1/src/input/input_parsing.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cp_parser_types.mod input_enumeration_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod cp_linked_list_input.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gaussian_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod qmmm_gaussian_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod cp_parser_methods.mod mathconstants.mod kinds.mod physcon.mod qmmm_gaussian_data.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F:1527:120: 1527 | WRITE (line_att, '(A)') " # Potential name: "//apname2(:strlen2)//" for symbol: "//symbol2(:strlen1) @@ -5806,37 +5463,121 @@ 1388 | INTEGER :: irep, l, strlen1, strlen2 | ^ note: 'strlen1' was declared here -/build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F:285:41: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_read.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod input_parsing.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_read.F input_cp2k_read.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_input.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_atprop.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_restart_rng.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_restart_rng.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_val_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_linked_list_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_restart_rng.F input_restart_rng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_read.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_atprop.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gopt_param_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/gopt_param_types.F gopt_param_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod splines_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_types.F helium_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gopt_param_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_restart_rng.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_basis_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_basis_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod optimize_basis_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod powell.mod cp_log_handling.mod cp_parser_methods.mod machine.mod kinds.mod input_constants.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_basis_utils.F optimize_basis_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_optimize_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_optimize_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_optimize_basis.F input_optimize_basis.F90 +/build/reproducible-path/cp2k-2023.1/src/motion/helium_types.F:386:41: - 285 | ALLOCATE (xnodes_next(nnodes_next)) + 386 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) | ^ -Warning: 'nnodes_next' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F:259:84: +Warning: 'helium_destroy_real_arr_ptr' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_basis_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_move_handle.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod input_section_types.mod tmc_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod tmc_stati.mod mathconstants.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_optimize_basis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_mpi.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod machine.mod swarm_message.mod kinds.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_mpi.F swarm_mpi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_move_handle.F90 +/build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F:1078:101: - 259 | nnodes_half, nnodes_next - | ^ -note: 'nnodes_next' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fp_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_period_efield_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_period_efield_types.F qs_period_efield_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'linesearch.o' due to: /build/reproducible-path/cp2k-2023.1/src/linesearch.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod string_utilities.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/linesearch.F linesearch.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_period_efield_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_transitional.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kpoint_transitional.F kpoint_transitional.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' linesearch.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod bibliography.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_para_env.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot_types.F qs_ot_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_transitional.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'outer_scf_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_opt_types.mod input_section_types.mod input_constants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/outer_scf_control_types.F outer_scf_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_transport.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_transport.F input_cp2k_transport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' outer_scf_control_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod + 1078 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc + | ^ +Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F:671:70: + + 671 | REAL(KIND=dp) :: radius, rc + | ^ +note: 'rc' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_history.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_history.F glbopt_history.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_mpi.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_mm.mod' due to: dbt_tas_mm.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_mm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod dbt_tas_util.mod dbt_tas_reshape_ops.mod dbt_tas_base.mod kinds.mod dbt_tas_io.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_history.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fft_tools.mod' due to: fft_tools.o /build/reproducible-path/cp2k-2023.1/src/pw/fft_tools.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod fft_lib.mod base_hooks.mod message_passing.mod cp_log_handling.mod offload_api.mod fast.mod fft_plan.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_output_handling.mod' due to: cp_output_handling.o /build/reproducible-path/cp2k-2023.1/src/input/cp_output_handling.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cp_iter_types.mod input_section_types.mod base_hooks.mod string_utilities.mod message_passing.mod cp_log_handling.mod machine.mod kinds.mod cp_files.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_types.mod' due to: cp_fm_types.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod base_hooks.mod cp_blacs_calls.mod message_passing.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F:653:101: + + 653 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc + | ^ +Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F:237:81: + + 237 | REAL(KIND=dp) :: my_radius, radius, rc + | ^ +note: 'rc' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a' due to: input_val_types.o input_section_types.o input_parsing.o input_keyword_types.o input_enumeration_types.o cp_parser_types.o cp_parser_status_types.o cp_parser_methods.o cp_parser_inpp_types.o cp_parser_inpp_methods.o cp_parser_ilist_types.o cp_parser_ilist_methods.o cp_parser_buffer_types.o cp_output_handling.o cp_linked_list_input.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a input_val_types.o input_section_types.o input_parsing.o input_keyword_types.o input_enumeration_types.o cp_parser_types.o cp_parser_status_types.o cp_parser_methods.o cp_parser_inpp_types.o cp_parser_inpp_methods.o cp_parser_ilist_types.o cp_parser_ilist_methods.o cp_parser_buffer_types.o cp_output_handling.o cp_linked_list_input.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gaussian_gridlevels.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dispersion_types.mod' due to: qs_dispersion_types.o /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod input_section_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_opt_types.mod' due to: qs_cdft_opt_types.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_opt_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw_env/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gaussian_gridlevels.F90 +/build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F:298:16: + + 298 | IF (move_types%mv_weight(ind) .GT. 0.0) THEN + | ^ +Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F:77:80: + + 77 | INTEGER :: i, i_rep, i_tmp, ind, n_items, & + | ^ +note: 'ind' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod memory_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_control.F xas_control.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xtb_types.F xtb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_transport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_control.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dftb_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_utils.F qs_dftb_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_lattice_summation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_kpoints.mod' due to: input_cp2k_kpoints.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_kpoints.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod bibliography.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rel_control_types.mod' due to: rel_control_types.o /build/reproducible-path/cp2k-2023.1/src/rel_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'linesearch.o' due to: /build/reproducible-path/cp2k-2023.1/src/linesearch.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/linesearch.F linesearch.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_density_mixing_types.mod' due to: qs_density_mixing_types.o /build/reproducible-path/cp2k-2023.1/src/qs_density_mixing_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod qs_rho_atom_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod ao_util.mod input_constants.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' linesearch.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_para_env.mod cp_blacs_env.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner_types.F preconditioner_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_field.mod' due to: input_cp2k_field.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_field.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'et_coupling_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/et_coupling_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/et_coupling_types.F et_coupling_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_block_davidson_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' et_coupling_types.F90 /build/reproducible-path/cp2k-2023.1/src/linesearch.F:321:32: 321 | this%step_size = step_size @@ -5857,22 +5598,100 @@ 302 | LOGICAL :: is_done | ^ note: 'is_done' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_control.F xas_control.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_types.mod' due to: atom_types.o /build/reproducible-path/cp2k-2023.1/src/atom_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_linked_list_input.mod atom_upf.mod cp_parser_methods.mod mathconstants.mod periodic_table.mod bessel_lib.mod input_constants.mod qs_grid_atom.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_block_davidson_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_diis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_diis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_diis_types.F qs_diis_types.F90 +/build/reproducible-path/cp2k-2023.1/src/et_coupling_types.F:74:34: + + 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) + | ^ +Warning: 'get_et_coupling_type' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mom_types.mod' due to: qs_mom_types.o /build/reproducible-path/cp2k-2023.1/src/qs_mom_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod bibliography.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_control.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_dftb_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_utils.F qs_dftb_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_voronoi.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_voronoi.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod physcon.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_voronoi.F input_cp2k_voronoi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_almo.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_libxc_wrap.mod' due to: xc_libxc_wrap.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc_wrap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_diis_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_external.mod' due to: input_cp2k_external.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_external.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_transport.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_transport.F input_cp2k_transport.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_input.mod' due to: qs_fb_input.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod cp_units.mod kinds.mod bibliography.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_transport.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_almo.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F input_cp2k_almo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_voronoi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_voronoi.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mo_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mo_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_pool_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mo_types.F qs_mo_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_exstate.mod' due to: input_cp2k_exstate.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_exstate.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_distribution.mod' due to: input_cp2k_distribution.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_distribution.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_voronoi.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_voronoi.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod physcon.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_voronoi.F input_cp2k_voronoi.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fp_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fp_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fp_types.F fp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_almo.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_efield_types.mod' due to: fist_efield_types.o /build/reproducible-path/cp2k-2023.1/src/fist_efield_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_voronoi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_voronoi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fp_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'metadynamics_types.mod' due to: metadynamics_types.o /build/reproducible-path/cp2k-2023.1/src/metadynamics_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_para_env.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F:739:48: + + 739 | IF (optimizer_type .EQ. optimizer_pcg .OR. & + | ^ +Warning: 'optimizer_type' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F:580:74: + + 580 | INTEGER :: optimizer_type + | ^ +note: 'optimizer_type' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'reftraj_types.mod' due to: reftraj_types.o /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'free_energy_types.mod' due to: free_energy_types.o /build/reproducible-path/cp2k-2023.1/src/free_energy_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'extended_system_types.mod' due to: extended_system_types.o /build/reproducible-path/cp2k-2023.1/src/extended_system_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod input_constants.mod bibliography.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermal_region_types.mod' due to: thermal_region_types.o /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'arnoldi_methods.mod' due to: arnoldi_methods.o /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod base_hooks.mod message_passing.mod kinds.mod arnoldi_geev.mod dbcsr_vector.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_check.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod cp_log_handling.mod kinds.mod xc_input_constants.mod input_constants.mod input_parsing.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_check.F input_cp2k_check.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_charge_mixing.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_charge_mixing.F qs_charge_mixing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_check.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_pwdft.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_charge_mixing.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gaussian_input.mod' due to: qmmm_gaussian_input.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod qmmm_gaussian_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod cp_parser_methods.mod mathconstants.mod kinds.mod physcon.mod qmmm_gaussian_data.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_pwdft.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_laplace.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_laplace.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_laplace.F mp2_laplace.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_free_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_laplace.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_read.mod' due to: input_cp2k_read.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_read.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod input_parsing.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_embed.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_embed.F input_cp2k_embed.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_free_energy.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_resp.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_resp.F input_cp2k_resp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_embed.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_atprop.mod' due to: input_cp2k_atprop.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atprop.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod bibliography.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_mixed.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_resp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_eip.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_eip.F input_cp2k_eip.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_mixed.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_nnp.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod cp_units.mod kinds.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_nnp.F input_cp2k_nnp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_eip.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_restart_rng.mod' due to: input_restart_rng.o /build/reproducible-path/cp2k-2023.1/src/input_restart_rng.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_val_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_linked_list_input.mod +true /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_types.F:2383:63: 2383 | REAL(KIND=dp), DIMENSION(:), POINTER :: zet @@ -5906,192 +5725,205 @@ 2378 | np, nset, nsgf, nshell | ^ note: 'nshell' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_almo.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gaussian_gridlevels.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mo_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gle_system_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/gle_system_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod extended_system_types.mod string_utilities.mod bibliography.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/gle_system_types.F gle_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw_env/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gaussian_gridlevels.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/csvr_system_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod parallel_rng_types.mod extended_system_types.mod string_utilities.mod bibliography.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/csvr_system_types.F csvr_system_types.F90 -/build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F:739:48: - - 739 | IF (optimizer_type .EQ. optimizer_pcg .OR. & - | ^ -Warning: 'optimizer_type' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F:580:74: - - 580 | INTEGER :: optimizer_type - | ^ -note: 'optimizer_type' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gle_system_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'al_system_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/al_system_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod extended_system_types.mod bibliography.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/al_system_types.F al_system_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'parallel_gemm_api.mod' due to: parallel_gemm_api.o /build/reproducible-path/cp2k-2023.1/src/parallel_gemm_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod offload_api.mod input_constants.mod cp_cfm_basic_linalg.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_optimization.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_optimization.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod lapack.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_optimization.F atom_optimization.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_check.mod' due to: input_cp2k_check.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod cp_para_types.mod xc_input_constants.mod cp_units.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod base_hooks.mod input_parsing.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' al_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_optimization.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_cfm_diag.mod' due to: cp_cfm_diag.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_diag.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_cfm_basic_linalg.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_cholesky.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'arnoldi_methods.mod' due to: arnoldi_methods.o /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi.fypp arnoldi_types.mod message_passing.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_geev.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gopt_param_types.mod' due to: gopt_param_types.o /build/reproducible-path/cp2k-2023.1/src/motion/gopt_param_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner_apply.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_fm_cholesky.mod parallel_gemm_api.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner_apply.F preconditioner_apply.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cholesky.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_charge_mixing.mod' due to: qs_charge_mixing.o /build/reproducible-path/cp2k-2023.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod cp_para_types.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_nnp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_types.mod' due to: helium_types.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod splines_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner_apply.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'matrix_exp.o' due to: /build/reproducible-path/cp2k-2023.1/src/matrix_exp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod mathconstants.mod parallel_gemm_api.mod cp_log_handling.mod cp_cfm_basic_linalg.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/matrix_exp.F matrix_exp.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_pwdft.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_free_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' matrix_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_pwdft.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_eip.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_constants.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_eip.F input_cp2k_eip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_free_energy.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_embed.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_embed.F input_cp2k_embed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_eip.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_resp.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_resp.F input_cp2k_resp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_embed.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_nnp.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod bibliography.mod cp_units.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_nnp.F input_cp2k_nnp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_resp.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_mixed.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_nnp.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_vib.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_vib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_vib.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_vib.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_vib.F input_cp2k_vib.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_basis_utils.mod' due to: optimize_basis_utils.o /build/reproducible-path/cp2k-2023.1/src/optimize_basis_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod input_section_types.mod optimize_basis_types.mod powell.mod string_utilities.mod cp_parser_methods.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_files.mod machine.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_mixed.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_integr_simpson.mod' due to: negf_integr_simpson.o /build/reproducible-path/cp2k-2023.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod mathconstants.mod negf_integr_utils.mod cp_cfm_basic_linalg.mod kinds.mod cp_fm_basic_linalg.mod util.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_vib.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_green_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_green_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod mathconstants.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_green_methods.F negf_green_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_integr_cc.mod' due to: negf_integr_cc.o /build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod kahan_sum.mod mathconstants.mod negf_integr_utils.mod cp_cfm_basic_linalg.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod fft_tools.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_basis_utils.mod' due to: optimize_basis_utils.o /build/reproducible-path/cp2k-2023.1/src/optimize_basis_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod optimize_basis_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod powell.mod cp_log_handling.mod cp_parser_methods.mod machine.mod kinds.mod input_constants.mod cp_files.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_green_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_optimize_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_optimize_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_vib.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_optimize_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_optimize_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_optimize_input.F input_optimize_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_negf.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_negf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod physcon.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_negf.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_negf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod qs_density_mixing_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod physcon.mod bibliography.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_negf.F input_cp2k_negf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_optimize_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_constraints.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_constraints.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_optimize_input.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_constraints.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_constraints.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_negf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'farming_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/farming_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 farming_types.mod cp_para_types.mod input_section_types.mod message_passing.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod cp_files.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_negf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'farming_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/farming_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 farming_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod cp_files.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/farming_methods.F farming_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_constraints.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_vib.mod' due to: input_cp2k_vib.o /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_vib.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_constraints.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_vib.mod' due to: input_cp2k_vib.o /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_vib.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' farming_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_input.F glbopt_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' farming_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_minhop.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod glbopt_history.mod bibliography.mod swarm_message.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_block.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_block.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod dbt_tas_types.mod dbt_index.mod dbt_allocate_wrap.mod dbt_array_list_methods.mod dbt_tas_base.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_block.F dbt_block.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_minhop.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_grids.mod timings.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_types.F pw_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_block.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_block.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'external_potential_types.mod' due to: external_potential_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod input_val_types.mod cp_para_types.mod mathlib.mod string_utilities.mod ao_util.mod cp_linked_list_input.mod bibliography.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_parser_methods.mod mathconstants.mod periodic_table.mod kinds.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_optimize_basis.mod' due to: input_optimize_basis.o /build/reproducible-path/cp2k-2023.1/src/input_optimize_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_elpa.mod' due to: cp_fm_elpa.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_fm_diag_utils.mod message_passing.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_optimize_input.mod' due to: input_optimize_input.o /build/reproducible-path/cp2k-2023.1/src/input_optimize_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fp_types.mod' due to: fp_types.o /build/reproducible-path/cp2k-2023.1/src/fp_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_move_handle.mod' due to: tmc_move_handle.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_move_handle.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod input_section_types.mod tmc_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod tmc_stati.mod mathconstants.mod kinds.mod physcon.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_period_efield_types.mod' due to: qs_period_efield_types.o /build/reproducible-path/cp2k-2023.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_mpi.mod' due to: swarm_mpi.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_mpi.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod machine.mod swarm_message.mod kinds.mod cp_files.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'linesearch.mod' due to: linesearch.o /build/reproducible-path/cp2k-2023.1/src/linesearch.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod string_utilities.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_input.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_history.mod' due to: glbopt_history.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_history.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_transitional.mod' due to: kpoint_transitional.o /build/reproducible-path/cp2k-2023.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_array_list_methods.mod dbt_tas_mm.mod dbt_tas_global.mod dbt_index.mod dbt_allocate_wrap.mod dbt_tas_base.mod kinds.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_types.F dbt_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod dbt_tas_mm.mod dbt_tas_base.mod kinds.mod dbm_tests.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_test.F dbt_tas_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_grid_info.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod base_hooks.mod mathconstants.mod kinds.mod fft_tools.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_info.F pw_grid_info.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'external_potential_types.mod' due to: external_potential_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/external_potential_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_val_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod orbital_transformation_matrices.mod string_utilities.mod periodic_table.mod cp_linked_list_input.mod cp_parser_methods.mod mathconstants.mod kinds.mod ao_util.mod bibliography.mod mathlib.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot_types.mod' due to: qs_ot_types.o /build/reproducible-path/cp2k-2023.1/src/qs_ot_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod bibliography.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_para_env.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_test.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_linked_list_fm.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_grid_info.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_vect.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_vect.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_vect.F cp_fm_vect.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_linked_list_fm.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_basic_linalg.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod kahan_sum.mod cp_log_handling.mod machine.mod cp_blacs_env.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_vect.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_vect.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_diag_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_para_env.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_basic_linalg.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_cholesky.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_diag_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_cfm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_blacs_calls.mod message_passing.mod cp_fm_struct.mod mathconstants.mod cp_blacs_env.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:268:32: + + 268 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign) + | ^ +Warning: 'cp_fm_lu_decompose' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:1882:29: + + 1882 | SUBROUTINE cp_fm_lu_invert(matrix, info_out) + | ^ +Warning: 'cp_fm_lu_invert' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:2101:3: + + 2101 | FUNCTION cp_fm_latra(matrix) RESULT(res) + | ^ +Warning: 'cp_fm_latra' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_cholesky.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gaussian_gridlevels.mod' due to: gaussian_gridlevels.o /build/reproducible-path/cp2k-2023.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'outer_scf_control_types.mod' due to: outer_scf_control_types.o /build/reproducible-path/cp2k-2023.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_opt_types.mod input_section_types.mod input_constants.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_cfm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'outer_scf_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_opt_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/outer_scf_control_types.F outer_scf_control_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_control.mod' due to: xas_control.o /build/reproducible-path/cp2k-2023.1/src/xas_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod memory_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_transport.mod' due to: input_cp2k_transport.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_types.F:724:38: + + 724 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) + | ^ +Warning: 'cp_cfm_to_cfm_triangular' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_types.mod' due to: xtb_types.o /build/reproducible-path/cp2k-2023.1/src/xtb_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_types.mod' due to: xtb_types.o /build/reproducible-path/cp2k-2023.1/src/xtb_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' outer_scf_control_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_types.mod' due to: atom_types.o /build/reproducible-path/cp2k-2023.1/src/atom_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod periodic_table.mod cp_linked_list_input.mod bessel_lib.mod atom_upf.mod cp_parser_methods.mod mathconstants.mod qs_grid_atom.mod kinds.mod input_constants.mod bibliography.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_control.mod' due to: xas_control.o /build/reproducible-path/cp2k-2023.1/src/xas_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_utils.mod' due to: qs_dftb_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dftb_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_utils.mod' due to: qs_dftb_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_dftb_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'linesearch.mod' due to: linesearch.o /build/reproducible-path/cp2k-2023.1/src/linesearch.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_voronoi.mod' due to: input_cp2k_voronoi.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_voronoi.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod physcon.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner_types.mod' due to: preconditioner_types.o /build/reproducible-path/cp2k-2023.1/src/preconditioner_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_para_env.mod cp_blacs_env.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_almo.mod' due to: input_cp2k_almo.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_vect.mod' due to: cp_fm_vect.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_vect.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mo_types.mod' due to: qs_mo_types.o /build/reproducible-path/cp2k-2023.1/src/qs_mo_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_pool_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'et_coupling_types.mod' due to: et_coupling_types.o /build/reproducible-path/cp2k-2023.1/src/et_coupling_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gaussian_gridlevels.mod' due to: gaussian_gridlevels.o /build/reproducible-path/cp2k-2023.1/src/pw_env/gaussian_gridlevels.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_block_davidson_types.mod' due to: qs_block_davidson_types.o /build/reproducible-path/cp2k-2023.1/src/qs_block_davidson_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_matrix_pools.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_struct.mod cp_blacs_env.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_matrix_pools.F qs_matrix_pools.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gle_system_types.mod' due to: gle_system_types.o /build/reproducible-path/cp2k-2023.1/src/gle_system_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod extended_system_types.mod string_utilities.mod bibliography.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_diis_types.mod' due to: qs_diis_types.o /build/reproducible-path/cp2k-2023.1/src/qs_diis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_types.mod' due to: csvr_system_types.o /build/reproducible-path/cp2k-2023.1/src/csvr_system_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod parallel_rng_types.mod extended_system_types.mod string_utilities.mod bibliography.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_transport.mod' due to: input_cp2k_transport.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_transport.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_matrix_pools.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'al_system_types.mod' due to: al_system_types.o /build/reproducible-path/cp2k-2023.1/src/al_system_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod extended_system_types.mod bibliography.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_almo.mod' due to: input_cp2k_almo.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_almo.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_optimization.mod' due to: atom_optimization.o /build/reproducible-path/cp2k-2023.1/src/atom_optimization.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod lapack.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_voronoi.mod' due to: input_cp2k_voronoi.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_voronoi.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod physcon.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_cholesky.mod' due to: cp_dbcsr_cholesky.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fp_types.mod' due to: fp_types.o /build/reproducible-path/cp2k-2023.1/src/fp_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod message_passing.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_methods.mod arnoldi_data_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gle_system_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/gle_system_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 extended_system_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/gle_system_types.F gle_system_types.F90 +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:2055:34: + + 2055 | ALLOCATE (work_sp(lwork)) + | ^ +Warning: 'lwork' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:2018:44: + + 2018 | INTEGER :: nrows, ncols, handle, lwork, nrows_local, ncols_local + | ^ +note: 'lwork' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'al_system_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/al_system_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod extended_system_types.mod simpar_types.mod base_hooks.mod kinds.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/al_system_types.F al_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gle_system_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/csvr_system_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 simpar_types.mod extended_system_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/csvr_system_types.F csvr_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' al_system_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'arnoldi_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod base_hooks.mod message_passing.mod arnoldi_data_methods.mod kinds.mod arnoldi_methods.mod dbcsr_vector.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner_apply.mod' due to: preconditioner_apply.o /build/reproducible-path/cp2k-2023.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_fm_cholesky.mod parallel_gemm_api.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/matrix_exp.F:526:89: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_types.F90 +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:1615:45: - 526 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) - | ^ -Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/matrix_exp.F:464:74: + 1615 | IF (PRESENT(det_a)) det_a = determinant + | ^ +Warning: 'determinant' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F:1456:61: - 464 | COMPLEX(KIND=dp) :: scaleD, scaleN - | ^ -note: 'REALPART_EXPR ' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_density_matrices.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_density_matrices.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod parallel_gemm_api.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_density_matrices.F qs_density_matrices.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_pwdft.mod' due to: input_cp2k_pwdft.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod kinds.mod cp_output_handling.mod base_hooks.mod + 1456 | REAL(KIND=dp) :: determinant, my_eps_svd + | ^ +note: 'determinant' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_optimization.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_optimization.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod base_hooks.mod lapack.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_optimization.F atom_optimization.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/arnoldi/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' arnoldi_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_check.mod' due to: input_cp2k_check.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_check.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod cp_log_handling.mod kinds.mod xc_input_constants.mod input_constants.mod input_parsing.mod memory_utilities.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_optimization.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_charge_mixing.mod' due to: qs_charge_mixing.o /build/reproducible-path/cp2k-2023.1/src/qs_charge_mixing.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_pwdft.mod' due to: input_cp2k_pwdft.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_pwdft.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_laplace.mod' due to: mp2_laplace.o /build/reproducible-path/cp2k-2023.1/src/mp2_laplace.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_free_energy.mod' due to: input_cp2k_free_energy.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_embed.mod' due to: input_cp2k_embed.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod bibliography.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_resp.mod' due to: input_cp2k_resp.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_free_energy.mod' due to: input_cp2k_free_energy.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_free_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_mixed.mod' due to: input_cp2k_mixed.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_matrices.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_density_matrices.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_eip.mod' due to: input_cp2k_eip.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_constants.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_eip.mod' due to: input_cp2k_eip.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_eip.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_embed.mod' due to: input_cp2k_embed.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_embed.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_nnp.mod' due to: input_cp2k_nnp.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod cp_units.mod kinds.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_resp.mod' due to: input_cp2k_resp.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_resp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_input.mod' due to: glbopt_input.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_nnp.mod' due to: input_cp2k_nnp.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_nnp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod bibliography.mod cp_units.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_constraints.mod' due to: input_cp2k_constraints.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_constraints.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_mixed.mod' due to: input_cp2k_mixed.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mixed.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_negf.mod' due to: input_cp2k_negf.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_negf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod qs_density_mixing_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod input_constants.mod physcon.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_green_methods.mod' due to: negf_green_methods.o /build/reproducible-path/cp2k-2023.1/src/negf_green_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod mathconstants.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'farming_methods.mod' due to: farming_methods.o /build/reproducible-path/cp2k-2023.1/src/farming_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 farming_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod cp_files.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_constraints.mod' due to: input_cp2k_constraints.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_constraints.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_minhop.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod swarm_message.mod kinds.mod physcon.mod bibliography.mod glbopt_history.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_minhop.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_tas_test.mod' due to: dbt_tas_test.o /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_tas_global.mod dbt_tas_mm.mod dbt_tas_base.mod kinds.mod dbm_tests.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a' due to: dbt_tas_util.o dbt_tas_types.o dbt_tas_test.o dbt_tas_split.o dbt_tas_reshape_ops.o dbt_tas_mm.o dbt_tas_io.o dbt_tas_global.o dbt_tas_base.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a dbt_tas_util.o dbt_tas_types.o dbt_tas_test.o dbt_tas_split.o dbt_tas_reshape_ops.o dbt_tas_mm.o dbt_tas_io.o dbt_tas_global.o dbt_tas_base.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_tas_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod message_passing.mod dbt_tas_test.mod offload_api.mod machine.mod dbt_tas_base.mod kinds.mod dbt_tas_io.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/tas/dbt_tas_unittest.F dbt_tas_unittest.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_grid_info.mod' due to: pw_grid_info.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_grid_info.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod base_hooks.mod mathconstants.mod kinds.mod fft_tools.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atomic_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod damping_dipole_types.mod external_potential_types.mod base_hooks.mod periodic_table.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/tas/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_tas_unittest.F90 /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_api.F:494:13: 494 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE. @@ -6102,135 +5934,85 @@ 399 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold | ^ note: 'rsnew' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_optimize_input.mod' due to: input_optimize_input.o /build/reproducible-path/cp2k-2023.1/src/input_optimize_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_input.mod' due to: glbopt_input.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_negf.mod' due to: input_cp2k_negf.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_negf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_constants.mod physcon.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_linked_list_fm.mod' due to: cp_linked_list_fm.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_linked_list_fm.F /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_minhop.mod' due to: glbopt_minhop.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod glbopt_history.mod bibliography.mod swarm_message.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_diag_utils.mod' due to: cp_fm_diag_utils.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_para_env.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'farming_methods.mod' due to: farming_methods.o /build/reproducible-path/cp2k-2023.1/src/farming_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 farming_types.mod cp_para_types.mod input_section_types.mod message_passing.mod cp_log_handling.mod base_hooks.mod cp_output_handling.mod cp_files.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atomic_kind_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_cholesky.mod' due to: cp_fm_cholesky.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_cholesky.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_block.mod' due to: dbt_block.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_block.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod dbt_tas_types.mod dbt_index.mod dbt_allocate_wrap.mod dbt_array_list_methods.mod dbt_tas_base.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_cfm_types.mod' due to: cp_cfm_types.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_blacs_calls.mod message_passing.mod cp_fm_struct.mod mathconstants.mod cp_blacs_env.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_types.mod' due to: pw_types.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_grids.mod timings.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'basis_set_types.mod' due to: basis_set_types.o /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_val_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod orbital_transformation_matrices.mod sto_ng.mod string_utilities.mod ai_coulomb.mod orbital_symbols.mod cp_linked_list_input.mod cp_parser_methods.mod mathconstants.mod kinds.mod util.mod bibliography.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atomic_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod external_potential_types.mod damping_dipole_types.mod periodic_table.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_diag.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_diag_utils.mod message_passing.mod cp_fm_cholesky.mod cp_blacs_calls.mod cp_fm_elpa.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag.F cp_fm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atomic_kind_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'basis_set_types.mod' due to: basis_set_types.o /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod input_val_types.mod cp_para_types.mod string_utilities.mod orbital_transformation_matrices.mod cp_linked_list_input.mod bibliography.mod orbital_pointers.mod cp_parser_methods.mod mathconstants.mod orbital_symbols.mod ai_coulomb.mod sto_ng.mod kinds.mod memory_utilities.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'outer_scf_control_types.mod' due to: outer_scf_control_types.o /build/reproducible-path/cp2k-2023.1/src/outer_scf_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_opt_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_diag.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'realspace_grid_cube.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dct.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dct.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod fast.mod pw_grids.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dct.F dct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' realspace_grid_cube.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_o3c_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_o3c_types.F qs_o3c_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dct.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atom_types.mod cp_files.mod lapack.mod string_utilities.mod ai_onecenter.mod mathconstants.mod mathlib.mod splines.mod kahan_sum.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod base_hooks.mod orbital_transformation_matrices.mod periodic_table.mod qs_grid_atom.mod ao_util.mod ai_overlap.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_utils.F atom_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_harmonics_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod orbital_transformation_matrices.mod spherical_harmonics.mod lebedev.mod kinds.mod orbital_pointers.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_utils.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod linesearch.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_types.F pao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_o3c_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho0_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod qs_rho_atom_types.mod cp_units.mod whittaker.mod mathconstants.mod qs_grid_atom.mod memory_utilities.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho0_types.F qs_rho0_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_harmonics_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod orbital_transformation_matrices.mod lebedev.mod orbital_pointers.mod memory_utilities.mod kinds.mod spherical_harmonics.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho0_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod kpoint_transitional.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho_types.F qs_rho_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_harmonics_atom.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hirshfeld_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod input_constants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hirshfeld_types.F hirshfeld_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod basis_set_types.mod physcon.mod cp_files.mod mathlib.mod string_utilities.mod ao_util.mod periodic_table.mod splines.mod input_constants.mod kinds.mod ai_onecenter.mod ai_overlap.mod mathconstants.mod qs_grid_atom.mod lapack.mod kahan_sum.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_utils.F atom_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hirshfeld_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_active_space_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod message_passing.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_active_space_types.F qs_active_space_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_matrix_pools.mod' due to: qs_matrix_pools.o /build/reproducible-path/cp2k-2023.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_struct.mod cp_blacs_env.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_active_space_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermostat_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod gle_system_types.mod simpar_types.mod extended_system_types.mod csvr_system_types.mod al_system_types.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_diag.mod' due to: cp_fm_diag.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_diag_utils.mod message_passing.mod cp_fm_cholesky.mod cp_blacs_calls.mod cp_fm_elpa.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_harmonics_atom.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_o3c_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_o3c_types.F qs_o3c_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gle_system_types.mod' due to: gle_system_types.o /build/reproducible-path/cp2k-2023.1/src/gle_system_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 extended_system_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod bibliography.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermostat_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'generic_shg_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod construct_shg.mod constants_operator.mod kinds.mod base_hooks.mod s_contract_shg.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 /build/reproducible-path/cp2k-2023.1/src/atom_utils.F:983:3: 983 | FUNCTION prune_grid(fun, deps) RESULT(nc) | ^ Warning: 'prune_grid' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'generic_shg_integrals_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod mathconstants.mod memory_utilities.mod kinds.mod spherical_harmonics.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' generic_shg_integrals.F90 -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:456:59: - - 456 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:274:73: - - 274 | maxn_sendrecv, rs_dim1, rs_dim2, & - | ^ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_diag.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_cfm_diag.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_fm_diag.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' generic_shg_integrals_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'arnoldi_api.mod' due to: arnoldi_api.o /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod message_passing.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_methods.mod arnoldi_data_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_o3c_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'al_system_types.mod' due to: al_system_types.o /build/reproducible-path/cp2k-2023.1/src/al_system_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod extended_system_types.mod simpar_types.mod base_hooks.mod kinds.mod bibliography.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_diag.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_density_matrices.mod' due to: qs_density_matrices.o /build/reproducible-path/cp2k-2023.1/src/qs_density_matrices.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod parallel_gemm_api.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_types.mod' due to: csvr_system_types.o /build/reproducible-path/cp2k-2023.1/src/csvr_system_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 simpar_types.mod extended_system_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod bibliography.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod qs_mo_types.mod qs_density_mixing_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod parallel_gemm_api.mod input_constants.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_methods.F qs_scf_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F:797:65: - - 797 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & - | ^ -Warning: 'last_z' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F:667:92: - - 667 | INTEGER :: counter, i, islice, j, k, last_z, & - | ^ -note: 'last_z' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'generic_os_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod ai_operators_r12.mod ai_overlap.mod orbital_pointers.mod debug_os_integrals.mod ai_derivatives.mod ai_operator_ra2m.mod constants_operator.mod kinds.mod base_hooks.mod ai_contraction_sphi.mod ai_overlap_aabb.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'arnoldi_api.mod' due to: arnoldi_api.o /build/reproducible-path/cp2k-2023.1/src/arnoldi/arnoldi_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 arnoldi_types.mod base_hooks.mod message_passing.mod arnoldi_data_methods.mod kinds.mod arnoldi_methods.mod dbcsr_vector.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'generic_os_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod ai_overlap.mod constants_operator.mod ai_operator_ra2m.mod debug_os_integrals.mod ai_operators_r12.mod ai_overlap_aabb.mod kinds.mod ai_derivatives.mod orbital_pointers.mod ai_contraction_sphi.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/generic_os_integrals.F generic_os_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_condnum.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_condnum.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod arnoldi_api.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_condnum.F qs_condnum.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' generic_os_integrals.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'matrix_exp.mod' due to: matrix_exp.o /build/reproducible-path/cp2k-2023.1/src/matrix_exp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod mathconstants.mod parallel_gemm_api.mod cp_log_handling.mod cp_cfm_basic_linalg.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'generic_shg_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod constants_operator.mod construct_shg.mod s_contract_shg.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' generic_os_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_optimization.mod' due to: atom_optimization.o /build/reproducible-path/cp2k-2023.1/src/atom_optimization.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod base_hooks.mod lapack.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_condnum.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_optimize_ri_basis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'generic_shg_integrals_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod spherical_harmonics.mod mathconstants.mod kinds.mod orbital_pointers.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' generic_shg_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_optimize_ri_basis_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod mathconstants.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tip_scan_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/tip_scan_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod input_section_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tip_scan_types.F tip_scan_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/shg_int/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' generic_shg_integrals_init.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_green_cache.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_green_cache.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod base_hooks.mod kinds.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_green_cache.F negf_green_cache.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a' due to: arnoldi_types.o arnoldi_methods.o arnoldi_geev.o arnoldi_data_methods.o arnoldi_api.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_green_cache.F90 Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_types.o arnoldi_methods.o arnoldi_geev.o arnoldi_data_methods.o arnoldi_api.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tip_scan_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod glbopt_input.mod string_utilities.mod input_constants.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod glbopt_input.mod string_utilities.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_input.F swarm_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod message_passing.mod dbt_block.mod dbt_tas_io.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_io.F dbt_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_split.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_split.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod dbt_index.mod dbt_allocate_wrap.mod dbt_block.mod dbt_array_list_methods.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_split.F dbt_split.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_reshape_ops.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_reshape_ops.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod message_passing.mod dbt_allocate_wrap.mod dbt_block.mod dbt_tas_base.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_reshape_ops.F dbt_reshape_ops.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_minhop.mod' due to: glbopt_minhop.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_minhop.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod swarm_message.mod kinds.mod physcon.mod bibliography.mod glbopt_history.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_input.F90 +/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:160: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbt_tas_unittest.psmp' due to: dbt_tas_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbt_tas_unittest.psmp dbt_tas_unittest.o -lcp2ktas -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_grids.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod base_hooks.mod message_passing.mod offload_api.mod mathconstants.mod kinds.mod pw_grid_info.mod mathlib.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F pw_grids.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atomic_kind_types.mod' due to: atomic_kind_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod damping_dipole_types.mod external_potential_types.mod base_hooks.mod periodic_table.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_grids.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_pool_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_pool_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod cp_linked_list_fm.mod cp_fm_struct.mod cp_log_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_basic_linalg.mod' due to: cp_fm_basic_linalg.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_basic_linalg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod kahan_sum.mod cp_log_handling.mod machine.mod cp_blacs_env.mod kinds.mod mathlib.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_pool_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_cfm_basic_linalg.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod kahan_sum.mod mathconstants.mod cp_blacs_env.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 /build/reproducible-path/cp2k-2023.1/src/atom_utils.F:1723:74: 1723 | assoc_laguerre(z, REAL(nu, KIND=dp) + 0.5_dp, i - 1) @@ -6241,40 +6023,38 @@ 1785 | ELEMENTAL FUNCTION assoc_laguerre(z, a, n) RESULT(res) | ^ note: 'res' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_split.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_split.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_copy_all.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_copy_all.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_copy_all.F pw_copy_all.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_reshape_ops.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_gpu.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_gpu.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod fast.mod kinds.mod base_hooks.mod fft_tools.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_gpu.F pw_gpu.F90 -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:1111:46: - - 1111 | ALLOCATE (pcs_bnds(2, 3, maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:1067:87: +/build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_pool_types.F:268:27: - 1067 | lb3_new, loc, maxn_sendrecv, rs_mpo, & - | ^ -note: 'maxn_sendrecv' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_copy_all.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_copy_all.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atomic_kind_types.mod' due to: atomic_kind_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod external_potential_types.mod damping_dipole_types.mod periodic_table.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_gpu.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_gpu.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a' due to: cp_linked_list_fm.o cp_fm_vect.o cp_fm_types.o cp_fm_struct.o cp_fm_pool_types.o cp_fm_elpa.o cp_fm_diag_utils.o cp_fm_diag.o cp_fm_cholesky.o cp_fm_basic_linalg.o cp_cfm_types.o cp_cfm_diag.o cp_cfm_basic_linalg.o cp_blacs_env.o cp_blacs_calls.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a cp_linked_list_fm.o cp_fm_vect.o cp_fm_types.o cp_fm_struct.o cp_fm_pool_types.o cp_fm_elpa.o cp_fm_diag_utils.o cp_fm_diag.o cp_fm_cholesky.o cp_fm_basic_linalg.o cp_cfm_types.o cp_cfm_diag.o cp_cfm_basic_linalg.o cp_blacs_env.o cp_blacs_calls.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'soft_basis_set.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/soft_basis_set.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod ao_util.mod orbital_pointers.mod orbital_symbols.mod memory_utilities.mod kinds.mod base_hooks.mod + 268 | SUBROUTINE fm_pools_copy(source_pools, target_pools) + | ^ +Warning: 'fm_pools_copy' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'soft_basis_set.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/soft_basis_set.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod orbital_symbols.mod kinds.mod ao_util.mod orbital_pointers.mod memory_utilities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/soft_basis_set.F soft_basis_set.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_cfm_basic_linalg.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'basis_set_container_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_container_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_container_types.F basis_set_container_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' soft_basis_set.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'aux_basis_set.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/aux_basis_set.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lapack.mod orbital_pointers.mod orbital_symbols.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' soft_basis_set.F90 +/build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F:108:37: + + 108 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) + | ^ +Warning: 'cp_cfm_schur_product_cc' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' basis_set_container_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'aux_basis_set.o' due to: /build/reproducible-path/cp2k-2023.1/src/aobasis/aux_basis_set.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod orbital_symbols.mod kinds.mod orbital_pointers.mod lapack.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/aobasis/aux_basis_set.F aux_basis_set.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' basis_set_container_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' aux_basis_set.F90 +/build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F:1273:28: + + 1273 | ALLOCATE (work(lwork)) + | ^ +Warning: 'lwork' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F:1233:73: + + 1233 | INTEGER :: handle, lwork, ncols, ncols_local, & + | ^ +note: 'lwork' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_nonbond_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_neighbor_list_types.mod cell_types.mod pair_potential_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/aobasis/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' aux_basis_set.F90 /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_container_types.F:196:10: 196 | IF (ibas /= 0) THEN @@ -6285,30 +6065,31 @@ 177 | INTEGER :: basis_nr, i, ibas | ^ note: 'ibas' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_o3c_types.mod' due to: qs_o3c_types.o /build/reproducible-path/cp2k-2023.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_force_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_force_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_force_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_force_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_force_types.F qs_force_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_types.mod' due to: pao_types.o /build/reproducible-path/cp2k-2023.1/src/pao_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod linesearch.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho0_types.mod' due to: qs_rho0_types.o /build/reproducible-path/cp2k-2023.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod qs_rho_atom_types.mod cp_units.mod whittaker.mod mathconstants.mod qs_grid_atom.mod memory_utilities.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_force_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_harmonics_atom.mod' due to: qs_harmonics_atom.o /build/reproducible-path/cp2k-2023.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod orbital_transformation_matrices.mod lebedev.mod orbital_pointers.mod memory_utilities.mod kinds.mod spherical_harmonics.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'basis_set_container_types.mod' due to: basis_set_container_types.o /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_container_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho_types.mod' due to: qs_rho_types.o /build/reproducible-path/cp2k-2023.1/src/qs_rho_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod kpoint_transitional.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_nonbond_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_harmonics_atom.mod' due to: qs_harmonics_atom.o /build/reproducible-path/cp2k-2023.1/src/qs_harmonics_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod orbital_transformation_matrices.mod spherical_harmonics.mod lebedev.mod kinds.mod orbital_pointers.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hirshfeld_types.mod' due to: hirshfeld_types.o /build/reproducible-path/cp2k-2023.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod input_constants.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_force_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_pool_types.mod' due to: cp_fm_pool_types.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_pool_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod cp_linked_list_fm.mod cp_fm_struct.mod cp_log_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'basis_set_container_types.mod' due to: basis_set_container_types.o /build/reproducible-path/cp2k-2023.1/src/aobasis/basis_set_container_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_operations.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod distribution_2d_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_types.mod' due to: pao_types.o /build/reproducible-path/cp2k-2023.1/src/pao_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod linesearch.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'soft_basis_set.mod' due to: soft_basis_set.o /build/reproducible-path/cp2k-2023.1/src/aobasis/soft_basis_set.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod ao_util.mod orbital_pointers.mod orbital_symbols.mod memory_utilities.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_o3c_types.mod' due to: qs_o3c_types.o /build/reproducible-path/cp2k-2023.1/src/qs_o3c_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod pao_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_log_handling.mod linesearch.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_operations.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod linesearch.mod bibliography.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_input.F pao_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_nonbond_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_neighbor_list_types.mod cell_types.mod pair_potential_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_input.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermostat_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 gle_system_types.mod simpar_types.mod al_system_types.mod extended_system_types.mod csvr_system_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pair_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/pair_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod splines_types.mod pair_potential_types.mod base_hooks.mod string_table.mod pair_potential_util.mod cp_log_handling.mod splines_methods.mod kinds.mod fparser.mod physcon.mod cp_files.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pair_potential.F pair_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermostat_types.F90 /build/reproducible-path/cp2k-2023.1/src/pao_input.F:232:31: 232 | s = "GAUSSIAN_PROCESS" @@ -6319,59 +6100,56 @@ 234 | s = "NEURAL_NETWORK" | 1 Warning: CHARACTER expression will be truncated in assignment (10/14) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_nonbond_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_active_space_types.mod' due to: qs_active_space_types.o /build/reproducible-path/cp2k-2023.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod message_passing.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:560:67: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_ml_neuralnet.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod parallel_rng_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pair_potential.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_ml_gaussprocess.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_ml_neuralnet.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_ml_gaussprocess.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param_fock.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param_fock.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param_fock.F pao_param_fock.F90 +/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1413:29: - 560 | ALLOCATE (recv_reqs(maxn_sendrecv), send_reqs(maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:531:45: + 1413 | DO n = nlim(1), nlim(2) + | ^ +Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1384:94: - 531 | lb3_loc, lb3_new, loc, maxn_sendrecv, rs_mpo, ub1, ub1_loc, ub1_new, ub2, ub2_loc, & - | ^ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:673:53: + 1384 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn + | ^ +note: 'nlim' declared here +/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1413:29: - 673 | cr3d_xpndd(:, :, ind:ub3_new) = catd_flipdbf - | ^ -Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:530:43: + 1413 | DO n = nlim(1), nlim(2) + | ^ +Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1384:94: - 530 | INTEGER :: group_size, handle, i, ind, lb1, lb1_loc, lb1_new, lb2, lb2_loc, lb2_new, lb3, & - | ^ -note: 'ind' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod input_section_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_para_types.mod input_cp2k_kpoints.mod string_utilities.mod cp_para_env.mod mathconstants.mod cp_log_handling.mod qs_matrix_pools.mod physcon.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kpoint_types.F kpoint_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pair_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/pair_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod atomic_kind_types.mod pair_potential_types.mod string_table.mod splines_methods.mod cp_log_handling.mod pair_potential_util.mod physcon.mod kinds.mod util.mod base_hooks.mod fparser.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pair_potential.F pair_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermostat_types.mod' due to: thermostat_types.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod gle_system_types.mod simpar_types.mod extended_system_types.mod csvr_system_types.mod al_system_types.mod input_constants.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pair_potential.F90 -/build/reproducible-path/cp2k-2023.1/src/kpoint_types.F:416:29: + 1384 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn + | ^ +note: 'nlim' declared here +/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1008:17: - 416 | SUBROUTINE set_kpoint_info(kpoint, kp_scheme, nkp_grid, kp_shift, symmetry, verbose, & - | ^ -Warning: 'set_kpoint_info' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'realspace_grid_cube.mod' due to: realspace_grid_cube.o /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'generic_shg_integrals_init.mod' due to: generic_shg_integrals_init.o /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod mathconstants.mod memory_utilities.mod kinds.mod spherical_harmonics.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_diag.mod' due to: cp_dbcsr_diag.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_cfm_diag.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_fm_diag.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner_makes.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod parallel_gemm_api.mod arnoldi_api.mod input_constants.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner_makes.F preconditioner_makes.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'iterate_matrix.o' due to: /build/reproducible-path/cp2k-2023.1/src/iterate_matrix.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod message_passing.mod bibliography.mod mathconstants.mod submatrix_dissection.mod cp_log_handling.mod arnoldi_api.mod input_constants.mod kinds.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/iterate_matrix.F iterate_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner_makes.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param_fock.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param_fock.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod mathlib.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param_fock.F pao_param_fock.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' iterate_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param_fock.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_ml_gaussprocess.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 + 1008 | .OR. .NOT. blocking) THEN + | ^ +Warning: 'blocking' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:804:68: + + 804 | LOGICAL :: blocking + | ^ +note: 'blocking' was declared here +/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1403:31: + + 1403 | nlim(2) = n_upperlimit + | ^ +Warning: 'n_upperlimit' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F:1384:85: + + 1384 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn + | ^ +note: 'n_upperlimit' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param_fock.F90 /build/reproducible-path/cp2k-2023.1/src/pair_potential.F:1069:77: 1069 | pot%spl_f%rcutsq_f = (min_sigma6/m_sigma6)**(1.0_dp/3.0_dp) @@ -6402,10 +6180,20 @@ 987 | REAL(KIND=dp) :: hicut0, l_epsilon, l_sigma6, m_epsilon, & | ^ note: 'm_epsilon' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_ml_gaussprocess.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_ml_neuralnet.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod parallel_rng_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_ml_neuralnet.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'iterate_matrix.o' due to: /build/reproducible-path/cp2k-2023.1/src/iterate_matrix.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod arnoldi_api.mod message_passing.mod cp_log_handling.mod machine.mod mathconstants.mod kinds.mod input_constants.mod bibliography.mod submatrix_dissection.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/iterate_matrix.F iterate_matrix.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_o3c_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod ai_overlap3.mod base_hooks.mod kinds.mod orbital_pointers.mod ai_contraction_sphi.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_o3c_methods.F qs_o3c_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' iterate_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_o3c_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'generic_os_integrals.mod' due to: generic_os_integrals.o /build/reproducible-path/cp2k-2023.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod ai_overlap.mod constants_operator.mod ai_operator_ra2m.mod debug_os_integrals.mod ai_operators_r12.mod ai_overlap_aabb.mod kinds.mod ai_derivatives.mod orbital_pointers.mod ai_contraction_sphi.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'generic_shg_integrals_init.mod' due to: generic_shg_integrals_init.o /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod spherical_harmonics.mod mathconstants.mod kinds.mod orbital_pointers.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'aux_basis_set.mod' due to: aux_basis_set.o /build/reproducible-path/cp2k-2023.1/src/aobasis/aux_basis_set.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod orbital_symbols.mod kinds.mod orbital_pointers.mod lapack.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_optimize_ri_basis_types.mod' due to: lri_optimize_ri_basis_types.o /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod mathconstants.mod base_hooks.mod kinds.mod +true /build/reproducible-path/cp2k-2023.1/src/pao_param_fock.F:155:83: 155 | D2(i, i) = D2(i, i) - 2.0_dp*alpha*diff/beta**2*EXP(-(diff/beta)**2) @@ -6426,151 +6214,80 @@ 56 | REAL(dp) :: alpha, beta, denom, diff | ^ note: 'alpha' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:212:42: - - 212 | ALLOCATE (flipg_stat(maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:174:90: - - 174 | INTEGER :: blocked, handle, maxn_sendrecv, & - | ^ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:225:44: - - 225 | hmat2(3, 3) = scfac(3)*cell_hmat(3, 3) - | ^ -Warning: 'scfac[2]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:181:65: - - 181 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[2]' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:224:44: - - 224 | hmat2(2, 2) = scfac(2)*cell_hmat(2, 2) - | ^ -Warning: 'scfac[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:181:65: - - 181 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[1]' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:223:44: - - 223 | hmat2(1, 1) = scfac(1)*cell_hmat(1, 1) - | ^ -Warning: 'scfac[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:181:65: - - 181 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[0]' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:109:50: - - 109 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:94:81: - - 94 | INTEGER :: handle, maxn_sendrecv - | ^ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_methods.mod' due to: qs_scf_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod qs_mo_types.mod qs_density_mixing_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod parallel_gemm_api.mod input_constants.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_o3c_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod orbital_pointers.mod kinds.mod ai_overlap3.mod base_hooks.mod ai_contraction_sphi.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_o3c_methods.F qs_o3c_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_condnum.mod' due to: qs_condnum.o /build/reproducible-path/cp2k-2023.1/src/qs_condnum.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod arnoldi_api.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'aux_basis_set.mod' due to: aux_basis_set.o /build/reproducible-path/cp2k-2023.1/src/aobasis/aux_basis_set.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lapack.mod orbital_pointers.mod orbital_symbols.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_optimize_ri_basis_types.mod' due to: lri_optimize_ri_basis_types.o /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_green_cache.mod' due to: negf_green_cache.o /build/reproducible-path/cp2k-2023.1/src/negf_green_cache.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod base_hooks.mod kinds.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tip_scan_types.mod' due to: tip_scan_types.o /build/reproducible-path/cp2k-2023.1/src/tip_scan_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_input.mod' due to: swarm_input.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod glbopt_input.mod string_utilities.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_input.mod' due to: swarm_input.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod glbopt_input.mod string_utilities.mod input_constants.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_types.mod' due to: dbt_types.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod base_hooks.mod dbm_api.mod dbt_tas_split.mod message_passing.mod dbt_array_list_methods.mod dbt_tas_mm.mod dbt_tas_global.mod dbt_index.mod dbt_allocate_wrap.mod dbt_tas_base.mod kinds.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_io.mod' due to: dbt_io.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod message_passing.mod dbt_block.mod dbt_tas_io.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_reshape_ops.mod' due to: dbt_reshape_ops.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_reshape_ops.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod message_passing.mod dbt_allocate_wrap.mod dbt_block.mod dbt_tas_base.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_copy_all.mod' due to: pw_copy_all.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_copy_all.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_gpu.mod' due to: pw_gpu.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_gpu.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod fast.mod kinds.mod base_hooks.mod fft_tools.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'particle_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'particle_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod kinds.mod message_passing.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/particle_types.F particle_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_o3c_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' particle_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atomic_kind_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' particle_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atomic_kind_list_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_elpa.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_blacs_env.mod cp_fm_diag_utils.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_cfm_basic_linalg.mod' due to: cp_cfm_basic_linalg.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_basic_linalg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod kahan_sum.mod mathconstants.mod cp_blacs_env.mod kinds.mod +true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a' due to: sto_ng.o soft_basis_set.o orbital_transformation_matrices.o orbital_symbols.o orbital_pointers.o basis_set_types.o basis_set_container_types.o aux_basis_set.o ao_util.o ai_verfc.o ai_spin_orbit.o ai_overlap_ppl.o ai_overlap_debug.o ai_overlap_aabb.o ai_overlap3_debug.o ai_overlap3.o ai_overlap.o ai_os_rr.o ai_operators_r12.o ai_operator_ra2m.o ai_oneelectron.o ai_onecenter.o ai_moments.o ai_kinetic.o ai_fermi_contact.o ai_eri_debug.o ai_elec_field.o ai_derivatives.o ai_coulomb_test.o ai_coulomb.o ai_contraction_sphi.o ai_contraction.o ai_angmom.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a" -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atomic_kind_list_types.F90 Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a sto_ng.o soft_basis_set.o orbital_transformation_matrices.o orbital_symbols.o orbital_pointers.o basis_set_types.o basis_set_container_types.o aux_basis_set.o ao_util.o ai_verfc.o ai_spin_orbit.o ai_overlap_ppl.o ai_overlap_debug.o ai_overlap_aabb.o ai_overlap3_debug.o ai_overlap3.o ai_overlap.o ai_os_rr.o ai_operators_r12.o ai_operator_ra2m.o ai_oneelectron.o ai_onecenter.o ai_moments.o ai_kinetic.o ai_fermi_contact.o ai_eri_debug.o ai_elec_field.o ai_derivatives.o ai_coulomb_test.o ai_coulomb.o ai_contraction_sphi.o ai_contraction.o ai_angmom.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dct.mod' due to: dct.o /build/reproducible-path/cp2k-2023.1/src/pw/dct.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod fast.mod pw_grids.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_o3c_types.mod qs_neighbor_list_types.mod mathlib.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_environment_types.F lri_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod input_section_types.mod pao_types.mod pexsi_types.mod cp_para_types.mod input_constants.mod kinds.mod base_hooks.mod cp_para_env.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_local_rho_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho0_types.mod qs_rho_atom_types.mod mathconstants.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_local_rho_types.F qs_local_rho_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_local_rho_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_wf_history_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_rho_types.mod pw_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_types.F qs_wf_history_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod qs_cdft_opt_types.mod cp_fm_types.mod pw_types.mod outer_scf_control_types.mod input_constants.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_cdft_types.F qs_cdft_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_wf_history_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_input.mod' due to: pao_input.o /build/reproducible-path/cp2k-2023.1/src/pao_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod pao_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_log_handling.mod linesearch.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_nonbond_env_types.mod' due to: fist_nonbond_env_types.o /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_neighbor_list_types.mod cell_types.mod pair_potential_types.mod base_hooks.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_nonbond_env_types.mod' due to: fist_nonbond_env_types.o /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_neighbor_list_types.mod cell_types.mod pair_potential_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_elpa.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'soft_basis_set.mod' due to: soft_basis_set.o /build/reproducible-path/cp2k-2023.1/src/aobasis/soft_basis_set.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod orbital_symbols.mod kinds.mod ao_util.mod orbital_pointers.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_types.mod' due to: kpoint_types.o /build/reproducible-path/cp2k-2023.1/src/kpoint_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod input_section_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_para_types.mod input_cp2k_kpoints.mod string_utilities.mod cp_para_env.mod mathconstants.mod cp_log_handling.mod qs_matrix_pools.mod physcon.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_operations.mod' due to: cp_dbcsr_operations.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_operations.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod distribution_2d_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod kinds.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pair_potential.mod' due to: pair_potential.o /build/reproducible-path/cp2k-2023.1/src/pair_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod atomic_kind_types.mod pair_potential_types.mod string_table.mod splines_methods.mod cp_log_handling.mod pair_potential_util.mod physcon.mod kinds.mod util.mod base_hooks.mod fparser.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod qs_density_mixing_types.mod pexsi_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_para_env.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod base_hooks.mod kinds.mod cp_dbcsr_operations.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_environment_types.F lri_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot_types.F qs_ot_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_input.mod' due to: pao_input.o /build/reproducible-path/cp2k-2023.1/src/pao_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod linesearch.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'generic_shg_integrals.mod' due to: generic_shg_integrals.o /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod construct_shg.mod constants_operator.mod kinds.mod base_hooks.mod s_contract_shg.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermostat_types.mod' due to: thermostat_types.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 gle_system_types.mod simpar_types.mod al_system_types.mod extended_system_types.mod csvr_system_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner_makes.mod' due to: preconditioner_makes.o /build/reproducible-path/cp2k-2023.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod parallel_gemm_api.mod arnoldi_api.mod input_constants.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pair_potential.mod' due to: pair_potential.o /build/reproducible-path/cp2k-2023.1/src/pair_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod splines_types.mod pair_potential_types.mod base_hooks.mod string_table.mod pair_potential_util.mod cp_log_handling.mod splines_methods.mod kinds.mod fparser.mod physcon.mod cp_files.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param_fock.mod' due to: pao_param_fock.o /build/reproducible-path/cp2k-2023.1/src/pao_param_fock.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod mathlib.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod arnoldi_api.mod kinds.mod pao_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_optimizer.F pao_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_ml_neuralnet.mod' due to: pao_ml_neuralnet.o /build/reproducible-path/cp2k-2023.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod parallel_rng_types.mod base_hooks.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_ml_gaussprocess.mod' due to: pao_ml_gaussprocess.o /build/reproducible-path/cp2k-2023.1/src/pao_ml_gaussprocess.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_ml_neuralnet.mod' due to: pao_ml_neuralnet.o /build/reproducible-path/cp2k-2023.1/src/pao_ml_neuralnet.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod parallel_rng_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'generic_os_integrals.mod' due to: generic_os_integrals.o /build/reproducible-path/cp2k-2023.1/src/generic_os_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod ai_operators_r12.mod ai_overlap.mod orbital_pointers.mod debug_os_integrals.mod ai_derivatives.mod ai_operator_ra2m.mod constants_operator.mod kinds.mod base_hooks.mod ai_contraction_sphi.mod ai_overlap_aabb.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_optimizer.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'generic_shg_integrals.mod' due to: generic_shg_integrals.o /build/reproducible-path/cp2k-2023.1/src/shg_int/generic_shg_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod constants_operator.mod construct_shg.mod s_contract_shg.mod kinds.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod pao_input.mod arnoldi_api.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_optimizer.F pao_optimizer.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_tersoff.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod pair_potential_types.mod mathconstants.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'parallel_gemm_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/parallel_gemm_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_fm_basic_linalg.mod offload_api.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/parallel_gemm_api.F parallel_gemm_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_cholesky.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"parallel_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' parallel_gemm_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_tersoff.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod base_hooks.mod mathconstants.mod kinds.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_tersoff.F manybody_tersoff.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cholesky.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_tersoff.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_integr_simpson.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod cp_fm_basic_linalg.mod mathconstants.mod negf_integr_utils.mod kinds.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_integr_simpson.F negf_integr_simpson.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_integr_cc.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod cp_fm_basic_linalg.mod kahan_sum.mod mathconstants.mod negf_integr_utils.mod fft_tools.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F negf_integr_cc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_integr_simpson.F90 /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a' due to: s_contract_shg.o generic_shg_integrals_init.o generic_shg_integrals.o construct_shg.o constants_operator.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_tersoff.F90 ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a s_contract_shg.o generic_shg_integrals_init.o generic_shg_integrals.o construct_shg.o constants_operator.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_split.mod' due to: dbt_split.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_split.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod dbt_index.mod dbt_allocate_wrap.mod dbt_block.mod dbt_array_list_methods.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod fast.mod message_passing.mod kahan_sum.mod cp_log_handling.mod pw_copy_all.mod pw_fpga.mod kinds.mod base_hooks.mod fft_tools.mod pw_gpu.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F pw_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'particle_types.mod' due to: particle_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod message_passing.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atomic_kind_list_types.mod' due to: atomic_kind_list_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:32:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_force_types.mod' due to: qs_force_types.o /build/reproducible-path/cp2k-2023.1/src/qs_force_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_types.mod' due to: dm_ls_scf_types.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod input_section_types.mod pao_types.mod pexsi_types.mod cp_para_types.mod input_constants.mod kinds.mod base_hooks.mod cp_para_env.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_integr_cc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_block.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_block.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod dbt_types.mod base_hooks.mod dbt_array_list_methods.mod dbt_index.mod dbt_allocate_wrap.mod dbt_tas_base.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_block.F dbt_block.F90 /build/reproducible-path/cp2k-2023.1/src/pao_optimizer.F:197:13: 197 | IF (beta < 0.0_dp) THEN @@ -6581,83 +6298,158 @@ 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, & | ^ note: 'beta' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_local_rho_types.mod' due to: qs_local_rho_types.o /build/reproducible-path/cp2k-2023.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho0_types.mod qs_rho_atom_types.mod mathconstants.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_grids.mod' due to: pw_grids.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_grids.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod base_hooks.mod message_passing.mod offload_api.mod mathconstants.mod kinds.mod pw_grid_info.mod mathlib.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_wf_history_types.mod' due to: qs_wf_history_types.o /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_rho_types.mod pw_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_block.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_block.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'particle_types.mod' due to: particle_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/particle_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod kinds.mod message_passing.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_types.mod' due to: qs_cdft_types.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod qs_cdft_opt_types.mod cp_fm_types.mod pw_types.mod outer_scf_control_types.mod input_constants.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atomic_kind_list_types.mod' due to: atomic_kind_list_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/atomic_kind_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_ls.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod pao_input.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ls.F input_cp2k_ls.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod cp_fm_types.mod particle_types.mod distribution_1d_types.mod cp_para_types.mod kinds.mod base_hooks.mod cp_para_env.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_elpa.mod' due to: cp_fm_elpa.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_elpa.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_blacs_env.mod cp_fm_diag_utils.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F:398:57: + + 398 | ALLOCATE (zdata_tmp(nnodes_half + nnodes_exist)) + | ^ +Warning: 'nnodes_half' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F:342:71: + + 342 | nnodes_half, nnodes_next + | ^ +note: 'nnodes_half' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_cfm_diag.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_diag.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod base_hooks.mod cp_cfm_basic_linalg.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_force_types.mod' due to: qs_force_types.o /build/reproducible-path/cp2k-2023.1/src/qs_force_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F:285:41: + + 285 | ALLOCATE (xnodes_next(nnodes_next)) + | ^ +Warning: 'nnodes_next' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F:259:84: + + 259 | nnodes_half, nnodes_next + | ^ +note: 'nnodes_next' declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_cfm_diag.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mo_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mo_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mo_types.F qs_mo_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_transitional.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kpoint_transitional.F kpoint_transitional.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mo_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod cp_para_env.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_types.F qs_loc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_ls.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'exstates_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/exstates_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_local_rho_types.mod cp_fm_types.mod input_section_types.mod pw_types.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/exstates_types.F exstates_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_transitional.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_period_efield_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_period_efield_types.F qs_period_efield_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_types.mod' due to: dm_ls_scf_types.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod qs_density_mixing_types.mod pexsi_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_para_env.mod kinds.mod input_constants.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_period_efield_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot_types.mod' due to: qs_ot_types.o /build/reproducible-path/cp2k-2023.1/src/qs_ot_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod input_constants.mod bibliography.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_ls.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod qs_density_mixing_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod pao_input.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ls.F input_cp2k_ls.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rmsd.o' due to: /build/reproducible-path/cp2k-2023.1/src/rmsd.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod mathlib.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rmsd.F rmsd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exstates_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' exstates_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'iterate_matrix.mod' due to: iterate_matrix.o /build/reproducible-path/cp2k-2023.1/src/iterate_matrix.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mathlib.mod message_passing.mod bibliography.mod mathconstants.mod submatrix_dissection.mod cp_log_handling.mod arnoldi_api.mod input_constants.mod kinds.mod base_hooks.mod machine.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rmsd.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_neighbor_lists.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod subcell_types.mod particle_types.mod distribution_1d_types.mod cp_para_types.mod string_utilities.mod cp_units.mod qmmm_ff_fist.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_ls.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_neighbor_lists.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod subcell_types.mod distribution_1d_types.mod exclusion_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod qmmm_ff_fist.mod cp_log_handling.mod kinds.mod memory_utilities.mod util.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_lists.F fist_neighbor_lists.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_optimizer.mod' due to: pao_optimizer.o /build/reproducible-path/cp2k-2023.1/src/pao_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod pao_input.mod arnoldi_api.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rmsd.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_optimizer.mod' due to: pao_optimizer.o /build/reproducible-path/cp2k-2023.1/src/pao_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod arnoldi_api.mod kinds.mod pao_input.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param_fock.mod' due to: pao_param_fock.o /build/reproducible-path/cp2k-2023.1/src/pao_param_fock.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod kinds.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'iterate_matrix.mod' due to: iterate_matrix.o /build/reproducible-path/cp2k-2023.1/src/iterate_matrix.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod arnoldi_api.mod message_passing.mod cp_log_handling.mod machine.mod mathconstants.mod kinds.mod input_constants.mod bibliography.mod submatrix_dissection.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_cfm_diag.mod' due to: cp_cfm_diag.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_cfm_diag.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod base_hooks.mod cp_cfm_basic_linalg.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_o3c_methods.mod' due to: qs_o3c_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod ai_overlap3.mod base_hooks.mod kinds.mod orbital_pointers.mod ai_contraction_sphi.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'parallel_gemm_api.mod' due to: parallel_gemm_api.o /build/reproducible-path/cp2k-2023.1/src/parallel_gemm_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod base_hooks.mod cp_cfm_basic_linalg.mod cp_fm_basic_linalg.mod offload_api.mod kinds.mod input_constants.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_neighbor_lists.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner_solvers.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_fm_cholesky.mod arnoldi_api.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod input_constants.mod bibliography.mod iterate_matrix.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner_solvers.F preconditioner_solvers.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner_apply.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner_apply.F preconditioner_apply.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_cholesky.mod' due to: cp_dbcsr_cholesky.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cholesky.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_neighbor_lists.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_symmetry.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_symmetry.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod cryssym.mod string_utilities.mod molsym.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner_solvers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner_apply.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'matrix_exp.o' due to: /build/reproducible-path/cp2k-2023.1/src/matrix_exp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/matrix_exp.F matrix_exp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_symmetry.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_symmetry.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod molsym.mod physcon.mod cryssym.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_symmetry.F cp_symmetry.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_curvy.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathlib.mod bibliography.mod mathconstants.mod cp_log_handling.mod iterate_matrix.mod input_constants.mod kinds.mod base_hooks.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' matrix_exp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_curvy.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod base_hooks.mod cp_log_handling.mod machine.mod mathconstants.mod kinds.mod input_constants.mod bibliography.mod mathlib.mod iterate_matrix.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_symmetry.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ct_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/ct_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ct_types.mod cp_dbcsr_cholesky.mod cp_log_handling.mod iterate_matrix.mod cp_dbcsr_diag.mod input_constants.mod kinds.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ct_methods.F ct_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_curvy.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 almo_scf_types.mod domain_submatrix_types.mod cp_para_types.mod mathlib.mod message_passing.mod cp_dbcsr_cholesky.mod bibliography.mod domain_submatrix_methods.mod cp_log_handling.mod iterate_matrix.mod fermi_utils.mod input_constants.mod cp_blacs_env.mod kinds.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_symmetry.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod almo_scf_types.mod domain_submatrix_types.mod base_hooks.mod util.mod mathlib.mod message_passing.mod cp_log_handling.mod cp_blacs_env.mod fermi_utils.mod cp_dbcsr_cholesky.mod input_constants.mod kinds.mod bibliography.mod iterate_matrix.mod domain_submatrix_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_methods.F almo_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ct_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_eam.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_eam.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_curvy.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_eam.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_eam.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod bibliography.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_eam.F manybody_eam.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_gal21.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_gal21.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_gal21.F manybody_gal21.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_eam.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_quip.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_quip.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod cell_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod bibliography.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_quip.F manybody_quip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal21.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_gal21.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_gal.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_gal.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_tersoff.mod' due to: manybody_tersoff.o /build/reproducible-path/cp2k-2023.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod base_hooks.mod mathconstants.mod kinds.mod util.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_eam.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_gal.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_gal.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod util.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_gal.F manybody_gal.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_quip.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_siepmann.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_quip.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_quip.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod pair_potential_types.mod cp_para_types.mod base_hooks.mod cp_log_handling.mod kinds.mod physcon.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_quip.F manybody_quip.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_gal.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_siepmann.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod util.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_siepmann.F manybody_siepmann.F90 /build/reproducible-path/cp2k-2023.1/src/almo_scf_methods.F:3034:33: 3034 | SUBROUTINE pseudo_matrix_power(A, Apow, power, N, range1, range1_thr, shift) | ^ Warning: 'pseudo_matrix_power' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_gal.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_tersoff.mod' due to: manybody_tersoff.o /build/reproducible-path/cp2k-2023.1/src/manybody_tersoff.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod pair_potential_types.mod mathconstants.mod kinds.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_quip.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_gal21.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_gal21.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod util.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_gal21.F manybody_gal21.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_siepmann.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_integr_simpson.mod' due to: negf_integr_simpson.o /build/reproducible-path/cp2k-2023.1/src/negf_integr_simpson.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod cp_fm_basic_linalg.mod mathconstants.mod negf_integr_utils.mod kinds.mod util.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_siepmann.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod dbt_tas_types.mod dbt_index.mod message_passing.mod dbt_allocate_wrap.mod dbm_api.mod dbt_block.mod dbt_tas_split.mod dbt_tas_mm.mod dbt_io.mod dbt_array_list_methods.mod dbt_tas_base.mod dbt_split.mod kinds.mod util.mod base_hooks.mod dbt_reshape_ops.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F dbt_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'particle_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/particle_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/particle_list_types.F particle_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' particle_list_types.F90 -/build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F:1987:30: +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_integr_cc.mod' due to: negf_integr_cc.o /build/reproducible-path/cp2k-2023.1/src/negf_integr_cc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod cp_fm_basic_linalg.mod kahan_sum.mod mathconstants.mod negf_integr_utils.mod fft_tools.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal21.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_gal21.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_green_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_green_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_green_methods.F negf_green_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_green_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:170:126: - 1987 | pw2%in_space = out_space - | ^ -Warning: 'out_space' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F:1669:69: + 170 | - gal%bxy*drji2*sinalpha*sinalpha)) + | ^ +Warning: 'sinalpha' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:75:68: - 1669 | out_space, out_unit - | ^ -note: 'out_space' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'multipole_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/multipole_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 external_potential_types.mod atomic_kind_types.mod input_section_types.mod particle_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/multipole_types.F multipole_types.F90 + 75 | sinalpha, sum_weight, Vang, Vgaussian, & + | ^ +note: 'sinalpha' was declared here +/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:170:126: + + 170 | - gal%bxy*drji2*sinalpha*sinalpha)) + | ^ +Warning: 'cosalpha' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:73:79: + + 73 | REAL(KIND=dp) :: anglepart, cosalpha, drji2, gcn_weight, & + | ^ +note: 'cosalpha' was declared here +/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:171:33: + + 171 | IF (weight == 0 .AND. index_outfile > 0) WRITE (index_outfile, *) "Fermi 0" + | ^ +Warning: 'weight' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:76:71: + + 76 | VTT, weight + | ^ +note: 'weight' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_block.mod' due to: dbt_block.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_block.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod dbt_types.mod base_hooks.mod dbt_array_list_methods.mod dbt_index.mod dbt_allocate_wrap.mod dbt_tas_base.mod kinds.mod +true /build/reproducible-path/cp2k-2023.1/src/atom_utils.F:2263:34: 2263 | r1 = atom%basis%grid%rad(m1) @@ -6678,32 +6470,25 @@ 2222 | LOGICAL :: nlcc, spinpol | ^ note: 'spinpol' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' multipole_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod base_hooks.mod timings.mod cp_log_handling.mod kinds.mod pw_grids.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_types.F pw_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'particle_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/particle_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/particle_list_types.F particle_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'multipole_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/multipole_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod input_section_types.mod external_potential_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/multipole_types.F multipole_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'colvar_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/colvar_types.F colvar_types.F90 -/build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F:2314:57: - - 2314 | integral_value = integral_value*pw1%pw_grid%dvol - | ^ -Warning: 'integral_value' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F:2285:60: - - 2285 | FUNCTION pw_integral_a2b(pw1, pw2) RESULT(integral_value) - | ^ -note: 'integral_value' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'multipole_types.mod' due to: multipole_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/multipole_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 external_potential_types.mod atomic_kind_types.mod input_section_types.mod particle_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'particle_list_types.mod' due to: particle_list_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/particle_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' colvar_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_environment_types.mod' due to: lri_environment_types.o /build/reproducible-path/cp2k-2023.1/src/lri_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_o3c_types.mod qs_neighbor_list_types.mod mathlib.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_types.mod cp_fm_types.mod pair_potential_types.mod input_constants.mod kinds.mod xas_control.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_control_types.F cp_control_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_ls.mod' due to: input_cp2k_ls.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod pao_input.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' particle_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' multipole_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_fm_diag.o' due to: /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod cp_blacs_calls.mod cp_fm_cholesky.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_blacs_env.mod cp_fm_diag_utils.mod kinds.mod cp_fm_elpa.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag.F cp_fm_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' colvar_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mo_types.mod' due to: qs_mo_types.o /build/reproducible-path/cp2k-2023.1/src/qs_mo_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod kinds.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_types.mod' due to: qs_loc_types.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod cp_fm_types.mod particle_types.mod distribution_1d_types.mod cp_para_types.mod kinds.mod base_hooks.mod cp_para_env.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_transitional.mod' due to: kpoint_transitional.o /build/reproducible-path/cp2k-2023.1/src/kpoint_transitional.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/fm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_fm_diag.F90 /build/reproducible-path/cp2k-2023.1/src/almo_scf_methods.F:2816:79: 2816 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: temp1, temp2, temp3, temp4 @@ -6740,45 +6525,33 @@ 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only | ^ note: 'use_both' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_control_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'exstates_types.mod' due to: exstates_types.o /build/reproducible-path/cp2k-2023.1/src/exstates_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_local_rho_types.mod cp_fm_types.mod input_section_types.mod pw_types.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_types.mod' due to: qs_loc_types.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod cp_para_env.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:170:126: - - 170 | - gal%bxy*drji2*sinalpha*sinalpha)) - | ^ -Warning: 'sinalpha' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:75:68: - - 75 | sinalpha, sum_weight, Vang, Vgaussian, & - | ^ -note: 'sinalpha' was declared here -/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:170:126: - - 170 | - gal%bxy*drji2*sinalpha*sinalpha)) - | ^ -Warning: 'cosalpha' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:73:79: - - 73 | REAL(KIND=dp) :: anglepart, cosalpha, drji2, gcn_weight, & - | ^ -note: 'cosalpha' was declared here -/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:171:33: +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_period_efield_types.mod' due to: qs_period_efield_types.o /build/reproducible-path/cp2k-2023.1/src/qs_period_efield_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_environment_types.mod' due to: lri_environment_types.o /build/reproducible-path/cp2k-2023.1/src/lri_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod base_hooks.mod kinds.mod cp_dbcsr_operations.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_ls.mod' due to: input_cp2k_ls.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ls.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod qs_density_mixing_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod pao_input.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/src/matrix_exp.F:526:89: - 171 | IF (weight == 0 .AND. index_outfile > 0) WRITE (index_outfile, *) "Fermi 0" - | ^ -Warning: 'weight' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/manybody_gal.F:76:71: + 526 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) + | ^ +Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/matrix_exp.F:464:74: - 76 | VTT, weight - | ^ -note: 'weight' was declared here + 464 | COMPLEX(KIND=dp) :: scaleD, scaleN + | ^ +note: 'REALPART_EXPR ' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_active_space_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_active_space_types.F qs_active_space_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rmsd.mod' due to: rmsd.o /build/reproducible-path/cp2k-2023.1/src/rmsd.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod mathlib.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_environment_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod mixed_energy_types.mod input_section_types.mod cp_result_types.mod particle_list_types.mod kinds.mod base_hooks.mod cp_result_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_environment_utils.F mixed_environment_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_realspace_grid_cube.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod atomic_kind_types.mod particle_list_types.mod realspace_grid_cube.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_neighbor_lists.mod' due to: fist_neighbor_lists.o /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod subcell_types.mod distribution_1d_types.mod exclusion_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod qmmm_ff_fist.mod cp_log_handling.mod kinds.mod memory_utilities.mod util.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_active_space_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod base_hooks.mod generic_os_integrals.mod generic_shg_integrals.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_integrals.F lri_integrals.F90 /build/reproducible-path/cp2k-2023.1/src/subsys/colvar_types.F:1035:82: 1035 | INTEGER, DIMENSION(:), POINTER :: i_hydrogens, i_oxygens @@ -6818,12 +6591,11 @@ 1034 | INTEGER :: i, idum, ii, n_hydrogens, n_oxygens, np | ^ note: 'n_hydrogens' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_environment_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner_solvers.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod bibliography.mod cp_fm_cholesky.mod iterate_matrix.mod arnoldi_api.mod input_constants.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner_solvers.F preconditioner_solvers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_cube.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod generic_os_integrals.mod generic_shg_integrals.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_integrals.F lri_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_compression.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_compression.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lri_environment_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_compression.F lri_compression.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner_solvers.mod' due to: preconditioner_solvers.o /build/reproducible-path/cp2k-2023.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_fm_cholesky.mod arnoldi_api.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod input_constants.mod bibliography.mod iterate_matrix.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_integrals.F90 /build/reproducible-path/cp2k-2023.1/src/subsys/colvar_types.F:1106:75: 1106 | i_oxygens_water @@ -6861,27 +6633,32 @@ 1104 | n_oxygens_acid, n_oxygens_water, np | ^ Warning: 'n_oxygens_water' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner_solvers.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_compression.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_compression.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lri_environment_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_compression.F lri_compression.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_integrals.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_o3c_methods.mod' due to: qs_o3c_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_o3c_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod orbital_pointers.mod kinds.mod ai_overlap3.mod base_hooks.mod ai_contraction_sphi.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner_apply.mod' due to: preconditioner_apply.o /build/reproducible-path/cp2k-2023.1/src/preconditioner_apply.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod kinds.mod input_constants.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_compression.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_neighbor_lists.mod' due to: fist_neighbor_lists.o /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_lists.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod subcell_types.mod particle_types.mod distribution_1d_types.mod cp_para_types.mod string_utilities.mod cp_units.mod qmmm_ff_fist.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_compression.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_density_matrices.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_density_matrices.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_density_matrices.F qs_density_matrices.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_neighbor_list_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod distribution_1d_types.mod exclusion_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod fist_neighbor_lists.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_matrices.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_density_matrices.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'matrix_exp.mod' due to: matrix_exp.o /build/reproducible-path/cp2k-2023.1/src/matrix_exp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathconstants.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_restarts_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod particle_list_types.mod cp_linked_list_input.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_symmetry.mod' due to: cp_symmetry.o /build/reproducible-path/cp2k-2023.1/src/cp_symmetry.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod cryssym.mod string_utilities.mod molsym.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_symmetry.mod' due to: cp_symmetry.o /build/reproducible-path/cp2k-2023.1/src/cp_symmetry.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod kinds.mod molsym.mod physcon.mod cryssym.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_control.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_curvy.mod' due to: dm_ls_scf_curvy.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod base_hooks.mod cp_log_handling.mod machine.mod mathconstants.mod kinds.mod input_constants.mod bibliography.mod mathlib.mod iterate_matrix.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_curvy.mod' due to: dm_ls_scf_curvy.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_curvy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathlib.mod bibliography.mod mathconstants.mod cp_log_handling.mod iterate_matrix.mod input_constants.mod kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_eam.mod' due to: manybody_eam.o /build/reproducible-path/cp2k-2023.1/src/manybody_eam.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod base_hooks.mod message_passing.mod kinds.mod bibliography.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_eam.mod' due to: manybody_eam.o /build/reproducible-path/cp2k-2023.1/src/manybody_eam.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_gal.mod' due to: manybody_gal.o /build/reproducible-path/cp2k-2023.1/src/manybody_gal.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod util.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_gal21.mod' due to: manybody_gal21.o /build/reproducible-path/cp2k-2023.1/src/manybody_gal21.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_quip.mod' due to: manybody_quip.o /build/reproducible-path/cp2k-2023.1/src/manybody_quip.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod pair_potential_types.mod cp_para_types.mod base_hooks.mod cp_log_handling.mod kinds.mod physcon.mod bibliography.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_quip.mod' due to: manybody_quip.o /build/reproducible-path/cp2k-2023.1/src/manybody_quip.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod cell_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod bibliography.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_siepmann.mod' due to: manybody_siepmann.o /build/reproducible-path/cp2k-2023.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod util.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_gal21.mod' due to: manybody_gal21.o /build/reproducible-path/cp2k-2023.1/src/manybody_gal21.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod util.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_green_methods.mod' due to: negf_green_methods.o /build/reproducible-path/cp2k-2023.1/src/negf_green_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod mathconstants.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/src/subsys/colvar_types.F:1004:26: @@ -6894,119 +6671,297 @@ | ^ note: 'list.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2023.1/src/subsys/colvar_types.F:536:64: Warning: 'list.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_gal.mod' due to: manybody_gal.o /build/reproducible-path/cp2k-2023.1/src/manybody_gal.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_siepmann.mod' due to: manybody_siepmann.o /build/reproducible-path/cp2k-2023.1/src/manybody_siepmann.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod particle_types.mod pair_potential_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod message_passing.mod kinds.mod dbt_block.mod dbt_tas_io.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_io.F dbt_io.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_reshape_ops.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_reshape_ops.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod message_passing.mod dbt_allocate_wrap.mod kinds.mod dbt_tas_base.mod dbt_block.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_reshape_ops.F dbt_reshape_ops.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_split.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_split.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod dbt_array_list_methods.mod dbt_index.mod dbt_allocate_wrap.mod kinds.mod dbt_block.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_split.F dbt_split.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_types.mod' due to: pw_types.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod base_hooks.mod timings.mod cp_log_handling.mod kinds.mod pw_grids.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_methods.mod' due to: pw_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod fast.mod message_passing.mod kahan_sum.mod cp_log_handling.mod pw_copy_all.mod pw_fpga.mod kinds.mod base_hooks.mod fft_tools.mod pw_gpu.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_reshape_ops.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'multipole_types.mod' due to: multipole_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/multipole_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod input_section_types.mod external_potential_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_control_types.mod' due to: cp_control_types.o /build/reproducible-path/cp2k-2023.1/src/cp_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_types.mod cp_fm_types.mod pair_potential_types.mod input_constants.mod kinds.mod xas_control.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_split.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_split.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'particle_list_types.mod' due to: particle_list_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/particle_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_utils.mod' due to: atom_utils.o /build/reproducible-path/cp2k-2023.1/src/atom_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod basis_set_types.mod physcon.mod cp_files.mod mathlib.mod string_utilities.mod ao_util.mod periodic_table.mod splines.mod input_constants.mod kinds.mod ai_onecenter.mod ai_overlap.mod mathconstants.mod qs_grid_atom.mod lapack.mod kahan_sum.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a' due to: cp_linked_list_fm.o cp_fm_vect.o cp_fm_types.o cp_fm_struct.o cp_fm_pool_types.o cp_fm_elpa.o cp_fm_diag_utils.o cp_fm_diag.o cp_fm_cholesky.o cp_fm_basic_linalg.o cp_cfm_types.o cp_cfm_diag.o cp_cfm_basic_linalg.o cp_blacs_env.o cp_blacs_calls.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a cp_linked_list_fm.o cp_fm_vect.o cp_fm_types.o cp_fm_struct.o cp_fm_pool_types.o cp_fm_elpa.o cp_fm_diag_utils.o cp_fm_diag.o cp_fm_cholesky.o cp_fm_basic_linalg.o cp_cfm_types.o cp_cfm_diag.o cp_cfm_basic_linalg.o cp_blacs_env.o cp_blacs_calls.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'realspace_grid_cube.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dct.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dct.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod fast.mod kinds.mod pw_grids.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dct.F dct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hirshfeld_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod input_constants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hirshfeld_types.F hirshfeld_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dct.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_utils.mod' due to: atom_utils.o /build/reproducible-path/cp2k-2023.1/src/atom_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atom_types.mod cp_files.mod lapack.mod string_utilities.mod ai_onecenter.mod mathconstants.mod mathlib.mod splines.mod kahan_sum.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod base_hooks.mod orbital_transformation_matrices.mod periodic_table.mod qs_grid_atom.mod ao_util.mod ai_overlap.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_parameters.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_parameters.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod basis_set_types.mod input_section_types.mod xtb_types.mod input_val_types.mod cp_control_types.mod cp_para_types.mod string_utilities.mod cp_linked_list_input.mod cp_parser_methods.mod periodic_table.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xtb_parameters.F xtb_parameters.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_dm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_dm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod input_constants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_dm_types.F admm_dm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_parameters.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_pool_types.mod qs_mo_types.mod cp_control_types.mod cp_fm_struct.mod cp_fm_vect.mod cp_dbcsr_operations.mod bibliography.mod qs_matrix_pools.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rt_propagation_types.F rt_propagation_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_dm_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_environment_utils.mod' due to: mixed_environment_utils.o /build/reproducible-path/cp2k-2023.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod mixed_energy_types.mod input_section_types.mod cp_result_types.mod particle_list_types.mod kinds.mod base_hooks.mod cp_result_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hirshfeld_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_matrix_pools.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_mo_types.mod cp_para_types.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_matrix_pools.F qs_matrix_pools.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod base_hooks.mod kpoint_transitional.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho_types.F qs_rho_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_matrix_pools.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho0_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod qs_rho_atom_types.mod whittaker.mod base_hooks.mod cp_units.mod qs_grid_atom.mod mathconstants.mod kinds.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho0_types.F qs_rho0_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_active_space_types.mod' due to: qs_active_space_types.o /build/reproducible-path/cp2k-2023.1/src/qs_active_space_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod kinds.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/src/xtb_parameters.F:205:21: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho0_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_environment_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod mixed_energy_types.mod particle_list_types.mod input_section_types.mod virial_types.mod cp_result_methods.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_environment_utils.F mixed_environment_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_restarts_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_val_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod kinds.mod cp_linked_list_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_environment_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F:797:65: - 205 | enam = aname - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_realspace_grid_cube.mod' due to: cp_realspace_grid_cube.o /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod atomic_kind_types.mod particle_list_types.mod realspace_grid_cube.mod kinds.mod base_hooks.mod cp_output_handling.mod + 797 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & + | ^ +Warning: 'last_z' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F:667:92: + + 667 | INTEGER :: counter, i, islice, j, k, last_z, & + | ^ +note: 'last_z' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_fm_diag.mod' due to: cp_fm_diag.o /build/reproducible-path/cp2k-2023.1/src/fm/cp_fm_diag.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod cp_blacs_calls.mod cp_fm_cholesky.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_blacs_env.mod cp_fm_diag_utils.mod kinds.mod cp_fm_elpa.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner_solvers.mod' due to: preconditioner_solvers.o /build/reproducible-path/cp2k-2023.1/src/preconditioner_solvers.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod preconditioner_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod bibliography.mod cp_fm_cholesky.mod iterate_matrix.mod arnoldi_api.mod input_constants.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:456:59: + + 456 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:274:73: + + 274 | maxn_sendrecv, rs_dim1, rs_dim2, & + | ^ +note: 'maxn_sendrecv' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_integrals.mod' due to: lri_integrals.o /build/reproducible-path/cp2k-2023.1/src/lri_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod base_hooks.mod generic_os_integrals.mod generic_shg_integrals.mod kinds.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_compression.mod' due to: lri_compression.o /build/reproducible-path/cp2k-2023.1/src/lri_compression.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 lri_environment_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 's_square_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/s_square_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod parallel_gemm_api.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/s_square_methods.F s_square_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_neighbor_list_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod particle_types.mod pair_potential_types.mod distribution_1d_types.mod cp_para_types.mod message_passing.mod fist_neighbor_lists.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' s_square_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_restarts_util.mod' due to: input_cp2k_restarts_util.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod particle_list_types.mod cp_linked_list_input.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod cp_para_types.mod cp_fm_types.mod qs_mo_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_fm_diag.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_methods.F qs_scf_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner_makes.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod arnoldi_api.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_fm_diag.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner_makes.F preconditioner_makes.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_density_matrices.mod' due to: qs_density_matrices.o /build/reproducible-path/cp2k-2023.1/src/qs_density_matrices.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'maxwell_solver_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_control.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ct_methods.mod' due to: ct_methods.o /build/reproducible-path/cp2k-2023.1/src/ct_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ct_types.mod cp_dbcsr_cholesky.mod cp_log_handling.mod iterate_matrix.mod cp_dbcsr_diag.mod input_constants.mod kinds.mod base_hooks.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner_makes.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_condnum.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_condnum.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod arnoldi_api.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod cp_fm_diag.mod kinds.mod cp_dbcsr_operations.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_condnum.F qs_condnum.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_neighbor_list_control.mod' due to: fist_neighbor_list_control.o /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod fist_neighbor_list_types.mod pair_potential_types.mod distribution_1d_types.mod exclusion_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod fist_neighbor_lists.mod kinds.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_condnum.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'realspace_grid_cube.mod' due to: realspace_grid_cube.o /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_cube.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod cp_files.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' maxwell_solver_interface.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod cp_para_types.mod atomic_kind_types.mod fist_neighbor_list_types.mod input_section_types.mod distribution_1d_types.mod cell_types.mod particle_types.mod pair_potential_types.mod manybody_gal21.mod manybody_eam.mod kinds.mod manybody_quip.mod manybody_gal.mod util.mod message_passing.mod manybody_siepmann.mod base_hooks.mod manybody_tersoff.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tip_scan_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/tip_scan_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tip_scan_types.F tip_scan_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'manybody_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/manybody_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atomic_kind_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod manybody_tersoff.mod manybody_gal.mod manybody_quip.mod manybody_eam.mod manybody_siepmann.mod util.mod message_passing.mod manybody_gal21.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/manybody_potential.F manybody_potential.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'realspace_grid_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod pw_methods.mod fast.mod mathlib.mod kahan_sum.mod message_passing.mod machine.mod offload_api.mod pw_grids.mod cp_log_handling.mod kinds.mod util.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_types.F realspace_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_potential.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'paw_proj_set_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod cp_control_types.mod mathlib.mod ao_util.mod orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/paw_proj_set_types.F paw_proj_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' realspace_grid_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_sgp.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_sgp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod powell.mod mathlib.mod kahan_sum.mod atom_upf.mod mathconstants.mod input_constants.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tip_scan_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' manybody_potential.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_io.mod' due to: dbt_io.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod message_passing.mod kinds.mod dbt_block.mod dbt_tas_io.mod +true +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:1111:46: + + 1111 | ALLOCATE (pcs_bnds(2, 3, maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:1067:87: + + 1067 | lb3_new, loc, maxn_sendrecv, rs_mpo, & + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_reshape_ops.mod' due to: dbt_reshape_ops.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_reshape_ops.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod message_passing.mod dbt_allocate_wrap.mod kinds.mod dbt_tas_base.mod dbt_block.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_gpu.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_gpu.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod fast.mod kinds.mod fft_tools.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_gpu.F pw_gpu.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_copy_all.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_copy_all.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_copy_all.F pw_copy_all.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hirshfeld_types.mod' due to: hirshfeld_types.o /build/reproducible-path/cp2k-2023.1/src/hirshfeld_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod input_constants.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_gpu.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_gpu.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_copy_all.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_copy_all.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_sgp.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_sgp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_utils.mod atom_upf.mod ai_onecenter.mod kahan_sum.mod mathconstants.mod kinds.mod powell.mod input_constants.mod mathlib.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_sgp.F atom_sgp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' paw_proj_set_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_parameters.mod' due to: xtb_parameters.o /build/reproducible-path/cp2k-2023.1/src/xtb_parameters.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod basis_set_types.mod input_section_types.mod xtb_types.mod input_val_types.mod cp_control_types.mod cp_para_types.mod string_utilities.mod cp_linked_list_input.mod cp_parser_methods.mod periodic_table.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_matrix_pools.mod' due to: qs_matrix_pools.o /build/reproducible-path/cp2k-2023.1/src/qs_matrix_pools.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_mo_types.mod cp_para_types.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_sgp.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_dm_types.mod' due to: admm_dm_types.o /build/reproducible-path/cp2k-2023.1/src/admm_dm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod input_constants.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_sgp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho_types.mod' due to: qs_rho_types.o /build/reproducible-path/cp2k-2023.1/src/qs_rho_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod base_hooks.mod kpoint_transitional.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_integrals.mod' due to: lri_integrals.o /build/reproducible-path/cp2k-2023.1/src/lri_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod generic_os_integrals.mod generic_shg_integrals.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho0_types.mod' due to: qs_rho0_types.o /build/reproducible-path/cp2k-2023.1/src/qs_rho0_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod qs_rho_atom_types.mod whittaker.mod base_hooks.mod cp_units.mod qs_grid_atom.mod mathconstants.mod kinds.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 's_square_methods.mod' due to: s_square_methods.o /build/reproducible-path/cp2k-2023.1/src/s_square_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod parallel_gemm_api.mod input_constants.mod cp_blacs_env.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_environment_utils.mod' due to: mixed_environment_utils.o /build/reproducible-path/cp2k-2023.1/src/mixed_environment_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod mixed_energy_types.mod particle_list_types.mod input_section_types.mod virial_types.mod cp_result_methods.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_neighbor_list_control.mod' due to: fist_neighbor_list_control.o /build/reproducible-path/cp2k-2023.1/src/fist_neighbor_list_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exclusion_types.mod atomic_kind_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cell_types.mod input_section_types.mod particle_types.mod pair_potential_types.mod distribution_1d_types.mod cp_para_types.mod message_passing.mod fist_neighbor_lists.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_restarts_util.mod' due to: input_cp2k_restarts_util.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_restarts_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_val_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod kinds.mod cp_linked_list_input.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'maxwell_solver_interface.mod' due to: maxwell_solver_interface.o /build/reproducible-path/cp2k-2023.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_diag.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_cfm_diag.mod cp_blacs_env.mod cp_fm_diag.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_methods.mod' due to: qs_scf_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod cp_para_types.mod cp_fm_types.mod qs_mo_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_fm_diag.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_types.mod' due to: rt_propagation_types.o /build/reproducible-path/cp2k-2023.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_pool_types.mod qs_mo_types.mod cp_control_types.mod cp_fm_struct.mod cp_fm_vect.mod cp_dbcsr_operations.mod bibliography.mod qs_matrix_pools.mod cp_log_handling.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_diag.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner_makes.mod' due to: preconditioner_makes.o /build/reproducible-path/cp2k-2023.1/src/preconditioner_makes.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod arnoldi_api.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_fm_diag.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_make_propagators.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod rt_propagation_types.mod cp_control_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod input_constants.mod matrix_exp.mod kinds.mod base_hooks.mod ls_matrix_exp.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_make_propagators.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_make_propagators.mod' due to: rt_make_propagators.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod rt_propagation_types.mod cp_control_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod input_constants.mod matrix_exp.mod kinds.mod base_hooks.mod ls_matrix_exp.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_condnum.mod' due to: qs_condnum.o /build/reproducible-path/cp2k-2023.1/src/qs_condnum.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod arnoldi_api.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod cp_fm_diag.mod kinds.mod cp_dbcsr_operations.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F:1006:24: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_realspace_grid_cube.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod particle_list_types.mod pw_types.mod base_hooks.mod kinds.mod realspace_grid_cube.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tip_scan_types.mod' due to: tip_scan_types.o /build/reproducible-path/cp2k-2023.1/src/tip_scan_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:560:67: - 1006 | IF (new_3 .AND. do_write_3) CALL dbt_write_tensor_info(tensor_3, unit_nr_prv, full_info=log_verbose) - | ^ -Warning: 'do_write_3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F:631:88: + 560 | ALLOCATE (recv_reqs(maxn_sendrecv), send_reqs(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:531:45: - 631 | LOGICAL :: do_crop_1, do_crop_2, do_write_3, nodata_3, do_batched, pgrid_changed, & - | ^ -note: 'do_write_3' was declared here -/build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F:946:88: + 531 | lb3_loc, lb3_new, loc, maxn_sendrecv, rs_mpo, ub1, ub1_loc, ub1_new, ub2, ub2_loc, & + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:673:53: - 946 | CALL mp_environ(tensor_large%pgrid%mp_comm_2d, 2, pdims_2d, pcoord_2d, periods_2d) - | ^ -Warning: 'tensor_large' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F:606:78: + 673 | cr3d_xpndd(:, :, ind:ub3_new) = catd_flipdbf + | ^ +Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:530:43: - 606 | TYPE(dbt_type), POINTER :: tensor_small, tensor_large - | ^ -note: 'tensor_large' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'colvar_types.mod' due to: colvar_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod base_hooks.mod kinds.mod + 530 | INTEGER :: group_size, handle, i, ind, lb1, lb1_loc, lb1_new, lb2, lb2_loc, lb2_new, lb3, & + | ^ +note: 'ind' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_copy_all.mod' due to: pw_copy_all.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_copy_all.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_methods.mod' due to: almo_scf_methods.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 almo_scf_types.mod domain_submatrix_types.mod cp_para_types.mod mathlib.mod message_passing.mod cp_dbcsr_cholesky.mod bibliography.mod domain_submatrix_methods.mod cp_log_handling.mod iterate_matrix.mod fermi_utils.mod input_constants.mod cp_blacs_env.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'colvar_types.mod' due to: colvar_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/colvar_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecule_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod force_field_kind_types.mod colvar_types.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_colvar.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod colvar_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod pw_types.mod outer_scf_control_types.mod qs_cdft_opt_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_cdft_types.F qs_cdft_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod input_cp2k_kpoints.mod qs_matrix_pools.mod string_utilities.mod cp_para_env.mod cp_log_handling.mod mathconstants.mod cp_blacs_env.mod kinds.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kpoint_types.F kpoint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_wf_history_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_fm_types.mod base_hooks.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_types.F qs_wf_history_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_local_rho_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho0_types.mod qs_rho_atom_types.mod base_hooks.mod qs_grid_atom.mod mathconstants.mod kinds.mod qs_harmonics_atom.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_local_rho_types.F qs_local_rho_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_wf_history_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_colvar.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod colvar_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod bibliography.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecule_kind_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod colvar_types.mod input_constants.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_local_rho_types.F90 +/build/reproducible-path/cp2k-2023.1/src/kpoint_types.F:416:29: + + 416 | SUBROUTINE set_kpoint_info(kpoint, kp_scheme, nkp_grid, kp_shift, symmetry, verbose, & + | ^ +Warning: 'set_kpoint_info' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod colvar_types.mod base_hooks.mod kinds.mod input_constants.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_types.F topology_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_colvar.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_methods.mod' due to: dbt_methods.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod dbt_tas_types.mod dbt_index.mod message_passing.mod dbt_allocate_wrap.mod dbm_api.mod dbt_block.mod dbt_tas_split.mod dbt_tas_mm.mod dbt_io.mod dbt_array_list_methods.mod dbt_tas_base.mod dbt_split.mod kinds.mod util.mod base_hooks.mod dbt_reshape_ops.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_colvar.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_diag.mod' due to: cp_dbcsr_diag.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_diag.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_cfm_diag.mod cp_blacs_env.mod cp_fm_diag.mod kinds.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_realspace_grid_cube.mod' due to: cp_realspace_grid_cube.o /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_cube.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod particle_list_types.mod pw_types.mod base_hooks.mod kinds.mod realspace_grid_cube.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_methods.mod' due to: almo_scf_methods.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod almo_scf_types.mod domain_submatrix_types.mod base_hooks.mod util.mod mathlib.mod message_passing.mod cp_log_handling.mod cp_blacs_env.mod fermi_utils.mod cp_dbcsr_cholesky.mod input_constants.mod kinds.mod bibliography.mod iterate_matrix.mod domain_submatrix_methods.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ct_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/ct_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ct_types.mod base_hooks.mod cp_log_handling.mod cp_dbcsr_diag.mod machine.mod cp_dbcsr_cholesky.mod input_constants.mod kinds.mod iterate_matrix.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ct_methods.F ct_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ct_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_split.mod' due to: dbt_split.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_split.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod dbt_array_list_methods.mod dbt_index.mod dbt_allocate_wrap.mod kinds.mod dbt_block.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_gpu.mod' due to: pw_gpu.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_gpu.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod fast.mod kinds.mod fft_tools.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecule_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod shell_potential_types.mod force_field_kind_types.mod colvar_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_types.mod' due to: qs_cdft_types.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod pw_types.mod outer_scf_control_types.mod qs_cdft_opt_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod kinds.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_types.mod' due to: kpoint_types.o /build/reproducible-path/cp2k-2023.1/src/kpoint_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod input_cp2k_kpoints.mod qs_matrix_pools.mod string_utilities.mod cp_para_env.mod cp_log_handling.mod mathconstants.mod cp_blacs_env.mod kinds.mod physcon.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecule_kind_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_wf_history_types.mod' due to: qs_wf_history_types.o /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_fm_types.mod base_hooks.mod kinds.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_local_rho_types.mod' due to: qs_local_rho_types.o /build/reproducible-path/cp2k-2023.1/src/qs_local_rho_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho0_types.mod qs_rho_atom_types.mod base_hooks.mod qs_grid_atom.mod mathconstants.mod kinds.mod qs_harmonics_atom.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:212:42: + + 212 | ALLOCATE (flipg_stat(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:174:90: + + 174 | INTEGER :: blocked, handle, maxn_sendrecv, & + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:225:44: + + 225 | hmat2(3, 3) = scfac(3)*cell_hmat(3, 3) + | ^ +Warning: 'scfac[2]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:181:65: + + 181 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[2]' was declared here +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:224:44: + + 224 | hmat2(2, 2) = scfac(2)*cell_hmat(2, 2) + | ^ +Warning: 'scfac[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:181:65: + + 181 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[1]' was declared here +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:223:44: + + 223 | hmat2(1, 1) = scfac(1)*cell_hmat(1, 1) + | ^ +Warning: 'scfac[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:181:65: + + 181 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[0]' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_types.mod' due to: topology_types.o /build/reproducible-path/cp2k-2023.1/src/topology_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod colvar_types.mod base_hooks.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_types.mod' due to: topology_types.o /build/reproducible-path/cp2k-2023.1/src/topology_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod colvar_types.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:109:50: + + 109 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/dct.F:94:81: + + 94 | INTEGER :: handle, maxn_sendrecv + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod dbt_types.mod base_hooks.mod dbm_api.mod message_passing.mod dbt_tas_split.mod dbt_array_list_methods.mod dbt_tas_mm.mod dbt_reshape_ops.mod dbt_io.mod dbt_index.mod dbt_allocate_wrap.mod dbt_tas_base.mod kinds.mod dbt_split.mod dbt_block.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F dbt_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod pw_fpga.mod pw_gpu.mod pw_copy_all.mod message_passing.mod kahan_sum.mod cp_log_handling.mod fast.mod machine.mod kinds.mod fft_tools.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F pw_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dct.mod' due to: dct.o /build/reproducible-path/cp2k-2023.1/src/pw/dct.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod fast.mod kinds.mod pw_grids.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pair_potential_types.mod qs_cdft_types.mod cp_fm_types.mod base_hooks.mod xas_control.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_control_types.F cp_control_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'exstates_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/exstates_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_local_rho_types.mod pw_types.mod cp_fm_types.mod base_hooks.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/exstates_types.F exstates_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_control_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_binary_restarts.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod topology_types.mod extended_system_types.mod cp_para_types.mod input_section_types.mod print_messages.mod base_hooks.mod message_passing.mod string_table.mod cp_log_handling.mod kinds.mod physcon.mod cp_files.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exstates_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' exstates_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atoms_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/atoms_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod topology_types.mod shell_potential_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod cp_linked_list_input.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atoms_input.F atoms_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_binary_restarts.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_pdb.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_pdb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod topology_types.mod cp_para_types.mod input_section_types.mod cp2k_info.mod base_hooks.mod cp_units.mod string_table.mod memory_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_pdb.F topology_pdb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atoms_input.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_cp2k.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_cp2k.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod topology_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod periodic_table.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod memory_utilities.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_cp2k.F topology_cp2k.F90 /build/reproducible-path/cp2k-2023.1/src/atom_sgp.F:544:13: 544 | IF (nl_trans) THEN @@ -7017,28 +6972,9 @@ 445 | LOGICAL :: nl_trans | ^ note: 'nl_trans' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod dbt_index.mod message_passing.mod dbt_block.mod dbt_allocate_wrap.mod dbt_io.mod dbt_tas_base.mod dbm_tests.mod kinds.mod base_hooks.mod dbt_tas_test.mod dbt_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_test.F dbt_test.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_binary_restarts.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod extended_system_types.mod particle_types.mod topology_types.mod message_passing.mod string_table.mod print_messages.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_test.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atoms_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/atoms_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod topology_types.mod input_val_types.mod string_table.mod string_utilities.mod cp_linked_list_input.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atoms_input.F atoms_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_binary_restarts.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_pdb.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_pdb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod qmmm_ff_fist.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod cp2k_info.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_pdb.F topology_pdb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atoms_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod colvar_types.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_input.F topology_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_pdb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_xyz.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_xyz.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod periodic_table.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_xyz.F topology_xyz.F90 -/build/reproducible-path/cp2k-2023.1/src/topology_pdb.F:317:63: - - 317 | my_local=.FALSE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_pdb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_gromos.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_gromos.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod topology_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod input_cp2k_restarts_util.mod kinds.mod memory_utilities.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_gromos.F topology_gromos.F90 /build/reproducible-path/cp2k-2023.1/src/atoms_input.F:441:84: 441 | core_particle_set(sh_index)%r(:) = rc(:, ishell)*unit_conv_core @@ -7049,37 +6985,37 @@ 287 | REAL(KIND=dp) :: dab, mass_com, rab(3), unit_conv_core, & | ^ note: 'unit_conv_core' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_cp2k.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_cp2k.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod periodic_table.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_cp2k.F topology_cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_xyz.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_cp2k.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_multiple_unit_cell.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod topology_types.mod memory_utilities.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/topology_pdb.F:317:63: + + 317 | my_local=.FALSE.) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_cp2k.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_xyz.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_xyz.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod topology_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod periodic_table.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod memory_utilities.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_xyz.F topology_xyz.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_gromos.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 topology_types.mod colvar_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_input.F topology_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_xyz.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_multiple_unit_cell.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod topology_types.mod input_section_types.mod base_hooks.mod kinds.mod memory_utilities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_gromos.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_gromos.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod input_cp2k_restarts_util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_gromos.F topology_gromos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_multiple_unit_cell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_gromos.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecule_kind_types.mod' due to: molecule_kind_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod force_field_kind_types.mod colvar_types.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'paw_proj_set_types.mod' due to: paw_proj_set_types.o /build/reproducible-path/cp2k-2023.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod cp_control_types.mod mathlib.mod ao_util.mod orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_multiple_unit_cell.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecule_kind_types.mod' due to: molecule_kind_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod shell_potential_types.mod force_field_kind_types.mod colvar_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atoms_input.mod' due to: atoms_input.o /build/reproducible-path/cp2k-2023.1/src/atoms_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod topology_types.mod input_val_types.mod string_table.mod string_utilities.mod cp_linked_list_input.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_control_types.mod' due to: cp_control_types.o /build/reproducible-path/cp2k-2023.1/src/cp_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pair_potential_types.mod qs_cdft_types.mod cp_fm_types.mod base_hooks.mod xas_control.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_pdb.mod' due to: topology_pdb.o /build/reproducible-path/cp2k-2023.1/src/topology_pdb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod qmmm_ff_fist.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod cp2k_info.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_colvar.mod' due to: input_cp2k_colvar.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod colvar_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod bibliography.mod kinds.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_xyz.mod' due to: topology_xyz.o /build/reproducible-path/cp2k-2023.1/src/topology_xyz.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod periodic_table.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'exstates_types.mod' due to: exstates_types.o /build/reproducible-path/cp2k-2023.1/src/exstates_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_local_rho_types.mod pw_types.mod cp_fm_types.mod base_hooks.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_cp2k.mod' due to: topology_cp2k.o /build/reproducible-path/cp2k-2023.1/src/topology_cp2k.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod periodic_table.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_multiple_unit_cell.mod' due to: topology_multiple_unit_cell.o /build/reproducible-path/cp2k-2023.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod topology_types.mod memory_utilities.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'realspace_grid_types.mod' due to: realspace_grid_types.o /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod pw_methods.mod fast.mod mathlib.mod kahan_sum.mod message_passing.mod machine.mod offload_api.mod pw_grids.mod cp_log_handling.mod kinds.mod util.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_dm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_dm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod base_hooks.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_dm_types.F admm_dm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_mo_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod qs_matrix_pools.mod cp_fm_struct.mod cp_log_handling.mod cp_fm_vect.mod kinds.mod cp_dbcsr_operations.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rt_propagation_types.F rt_propagation_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_dm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atoms_input.mod' due to: atoms_input.o /build/reproducible-path/cp2k-2023.1/src/atoms_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod topology_types.mod shell_potential_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod cp_linked_list_input.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecule_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_types.mod colvar_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_types.F molecule_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecule_kind_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_types.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecule_types.F90 /build/reproducible-path/cp2k-2023.1/src/topology_gromos.F:280:21: 280 | nsolute = natom @@ -7090,17 +7026,37 @@ 66 | itype, iw, jatom, natom, natom_prev, nbond, nbond_prev, ncon, nsolute, nsolvent, ntype, & | ^ note: 'natom' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_linked_list_pw.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod realspace_grid_types.mod base_hooks.mod kinds.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/cp_linked_list_pw.F cp_linked_list_pw.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dgs.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dgs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod pw_grid_types.mod mathlib.mod fast.mod pw_grids.mod pw_grid_info.mod structure_factors.mod kinds.mod base_hooks.mod fft_tools.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dgs.F dgs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecule_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_linked_list_pw.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cube_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/cube_utils.F cube_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dgs.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_rsgrid.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod realspace_grid_types.mod string_utilities.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_rsgrid.F input_cp2k_rsgrid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_pdb.mod' due to: topology_pdb.o /build/reproducible-path/cp2k-2023.1/src/topology_pdb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod topology_types.mod cp_para_types.mod input_section_types.mod cp2k_info.mod base_hooks.mod cp_units.mod string_table.mod memory_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_cp2k.mod' due to: topology_cp2k.o /build/reproducible-path/cp2k-2023.1/src/topology_cp2k.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod topology_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod periodic_table.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod memory_utilities.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_xyz.mod' due to: topology_xyz.o /build/reproducible-path/cp2k-2023.1/src/topology_xyz.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod topology_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod periodic_table.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod memory_utilities.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_multiple_unit_cell.mod' due to: topology_multiple_unit_cell.o /build/reproducible-path/cp2k-2023.1/src/topology_multiple_unit_cell.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod topology_types.mod input_section_types.mod base_hooks.mod kinds.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 's_square_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/s_square_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod qs_mo_types.mod cp_control_types.mod parallel_gemm_api.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/s_square_methods.F s_square_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F:1987:30: + + 1987 | pw2%in_space = out_space + | ^ +Warning: 'out_space' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F:1669:69: + + 1669 | out_space, out_unit + | ^ +note: 'out_space' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'maxwell_solver_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' s_square_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ct_methods.mod' due to: ct_methods.o /build/reproducible-path/cp2k-2023.1/src/ct_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ct_types.mod base_hooks.mod cp_log_handling.mod cp_dbcsr_diag.mod machine.mod cp_dbcsr_cholesky.mod input_constants.mod kinds.mod iterate_matrix.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' maxwell_solver_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_potential.mod' due to: manybody_potential.o /build/reproducible-path/cp2k-2023.1/src/manybody_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atomic_kind_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod pair_potential_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod manybody_tersoff.mod manybody_gal.mod manybody_quip.mod manybody_eam.mod manybody_siepmann.mod util.mod message_passing.mod manybody_gal21.mod kinds.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecule_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 colvar_types.mod molecule_kind_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_types.F molecule_types.F90 /build/reproducible-path/cp2k-2023.1/src/atom_sgp.F:233:10: 233 | IF (do_transform) THEN @@ -7141,16 +7097,25 @@ 197 | TYPE(atom_ecppot_type), POINTER :: ecp_pot | ^ note: 'ecp_pot' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_colvar.mod' due to: input_cp2k_colvar.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_colvar.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod colvar_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cube_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_realspace_grid_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_init.F cp_realspace_grid_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_rsgrid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pme_tools.o' due to: /build/reproducible-path/cp2k-2023.1/src/pme_tools.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod particle_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pme_tools.F pme_tools.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_input.mod' due to: topology_input.o /build/reproducible-path/cp2k-2023.1/src/topology_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod colvar_types.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F:2314:57: + + 2314 | integral_value = integral_value*pw1%pw_grid%dvol + | ^ +Warning: 'integral_value' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F:2285:60: + + 2285 | FUNCTION pw_integral_a2b(pw1, pw2) RESULT(integral_value) + | ^ +note: 'integral_value' declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecule_kind_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecule_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'paw_proj_set_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cp_control_types.mod input_section_types.mod base_hooks.mod orbital_transformation_matrices.mod memory_utilities.mod cp_log_handling.mod mathconstants.mod kinds.mod ao_util.mod mathlib.mod orbital_pointers.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/paw_proj_set_types.F paw_proj_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecule_kind_list_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_parameters.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_parameters.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cp_parser_types.mod input_val_types.mod xtb_types.mod cp_para_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod string_utilities.mod periodic_table.mod cp_parser_methods.mod kinds.mod physcon.mod cp_linked_list_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xtb_parameters.F xtb_parameters.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_dm_types.mod' due to: admm_dm_types.o /build/reproducible-path/cp2k-2023.1/src/admm_dm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod base_hooks.mod kinds.mod input_constants.mod true /build/reproducible-path/cp2k-2023.1/src/atom_sgp.F:162:25: @@ -7162,50 +7127,52 @@ 84 | REAL(KIND=dp) :: errcc, rcut | ^ note: 'errcc' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pme_tools.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'grid_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod message_passing.mod offload_api.mod string_utilities.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/grid/grid_api.F grid_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecule_types.mod' due to: molecule_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_types.mod colvar_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_types.mod' due to: rt_propagation_types.o /build/reproducible-path/cp2k-2023.1/src/rt_propagation_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_mo_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod qs_matrix_pools.mod cp_fm_struct.mod cp_log_handling.mod cp_fm_vect.mod kinds.mod cp_dbcsr_operations.mod bibliography.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecule_kind_list_types.mod' due to: molecule_kind_list_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_binary_restarts.mod' due to: input_cp2k_binary_restarts.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod topology_types.mod extended_system_types.mod cp_para_types.mod input_section_types.mod print_messages.mod base_hooks.mod message_passing.mod string_table.mod cp_log_handling.mod kinds.mod physcon.mod cp_files.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/grid/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' grid_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_linked_list_pw.mod' due to: cp_linked_list_pw.o /build/reproducible-path/cp2k-2023.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod realspace_grid_types.mod base_hooks.mod kinds.mod cp_array_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' paw_proj_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_parameters.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_input.mod' due to: topology_input.o /build/reproducible-path/cp2k-2023.1/src/topology_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 topology_types.mod colvar_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_rsgrid.mod' due to: input_cp2k_rsgrid.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod realspace_grid_types.mod string_utilities.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 's_square_methods.mod' due to: s_square_methods.o /build/reproducible-path/cp2k-2023.1/src/s_square_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod qs_mo_types.mod cp_control_types.mod parallel_gemm_api.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cube_utils.mod' due to: cube_utils.o /build/reproducible-path/cp2k-2023.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/src/xtb_parameters.F:205:21: + + 205 | enam = aname + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'maxwell_solver_interface.mod' due to: maxwell_solver_interface.o /build/reproducible-path/cp2k-2023.1/src/maxwell_solver_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod cp_control_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_realspace_grid_init.mod' due to: cp_realspace_grid_init.o /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_make_propagators.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 rt_propagation_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod matrix_exp.mod ls_matrix_exp.mod cp_fm_vect.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_make_propagators.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecule_types.mod' due to: molecule_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 colvar_types.mod molecule_kind_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecule_kind_list_types.mod' due to: molecule_kind_list_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_kind_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_binary_restarts.mod' due to: input_cp2k_binary_restarts.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_binary_restarts.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod extended_system_types.mod particle_types.mod topology_types.mod message_passing.mod string_table.mod print_messages.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_sgp.mod' due to: atom_sgp.o /build/reproducible-path/cp2k-2023.1/src/atom_sgp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_utils.mod atom_upf.mod ai_onecenter.mod kahan_sum.mod mathconstants.mod kinds.mod powell.mod input_constants.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermostat_mapping.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod simpar_types.mod molecule_types.mod extended_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod memory_utilities.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermostat_mapping.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod cell_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod simpar_types.mod base_hooks.mod message_passing.mod kinds.mod input_constants.mod util.mod memory_utilities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pme_tools.mod' due to: pme_tools.o /build/reproducible-path/cp2k-2023.1/src/pme_tools.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod particle_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_gromos.mod' due to: topology_gromos.o /build/reproducible-path/cp2k-2023.1/src/topology_gromos.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod topology_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod input_cp2k_restarts_util.mod kinds.mod memory_utilities.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_connectivity_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod topology_types.mod force_field_kind_types.mod molecule_kind_types.mod string_table.mod cp_log_handling.mod input_constants.mod kinds.mod cp_output_handling.mod memory_utilities.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_connectivity_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod topology_types.mod force_field_kind_types.mod input_section_types.mod base_hooks.mod string_table.mod memory_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod util.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_connectivity_util.F topology_connectivity_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermostat_mapping.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_molecules.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod molecule_types.mod qs_loc_types.mod particle_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermostat_mapping.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_molecules.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod qs_loc_types.mod cell_types.mod distribution_1d_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod memory_utilities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_molecules.F qs_loc_molecules.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_connectivity_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mm_collocate_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod pw_types.mod ao_util.mod kinds.mod base_hooks.mod cube_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mm_collocate_potential.F mm_collocate_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_molecules.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'manybody_potential.mod' due to: manybody_potential.o /build/reproducible-path/cp2k-2023.1/src/manybody_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod cp_para_types.mod atomic_kind_types.mod fist_neighbor_list_types.mod input_section_types.mod distribution_1d_types.mod cell_types.mod particle_types.mod pair_potential_types.mod manybody_gal21.mod manybody_eam.mod kinds.mod manybody_quip.mod manybody_gal.mod util.mod message_passing.mod manybody_siepmann.mod base_hooks.mod manybody_tersoff.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mm_collocate_potential.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_intra_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_intra_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod molecule_types.mod particle_types.mod atprop_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_log_handling.mod kinds.mod mol_force.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_connectivity_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_intra_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_intra_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod atprop_types.mod base_hooks.mod cp_log_handling.mod mol_force.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_intra_force.F fist_intra_force.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a' due to: grid_api.o grid_task_list.o grid_replay.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a" -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_intra_force.F90 -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a grid_api.o grid_task_list.o grid_replay.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_molecules.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_intra_force.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_methods.mod' due to: pw_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod pw_fpga.mod pw_gpu.mod pw_copy_all.mod message_passing.mod kahan_sum.mod cp_log_handling.mod fast.mod machine.mod kinds.mod fft_tools.mod +true /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecule_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_list_types.F molecule_list_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_parameters.mod' due to: xtb_parameters.o /build/reproducible-path/cp2k-2023.1/src/xtb_parameters.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cp_parser_types.mod input_val_types.mod xtb_types.mod cp_para_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod string_utilities.mod periodic_table.mod cp_parser_methods.mod kinds.mod physcon.mod cp_linked_list_input.mod +true /build/reproducible-path/cp2k-2023.1/src/qs_loc_molecules.F:172:60: 172 | i = molecule_set(imol_now)%lmi(ispin)%nstates @@ -7216,39 +7183,18 @@ 53 | INTEGER :: counter, first_atom, i, iatom, ikind, imol, imol_now, istate, k, local_location, & | ^ note: 'imol_now' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_pool_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod pw_grids.mod cp_log_handling.mod kinds.mod cp_linked_list_pw.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F pw_pool_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecule_list_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'grid_api.mod' due to: grid_api.o /build/reproducible-path/cp2k-2023.1/src/grid/grid_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod message_passing.mod offload_api.mod string_utilities.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_sgp.mod' due to: atom_sgp.o /build/reproducible-path/cp2k-2023.1/src/atom_sgp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod powell.mod mathlib.mod kahan_sum.mod atom_upf.mod mathconstants.mod input_constants.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecule_list_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_make_propagators.mod' due to: rt_make_propagators.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_make_propagators.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 rt_propagation_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod matrix_exp.mod ls_matrix_exp.mod cp_fm_vect.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_pool_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dgs.mod' due to: dgs.o /build/reproducible-path/cp2k-2023.1/src/pw/dgs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod pw_grid_types.mod mathlib.mod fast.mod pw_grids.mod pw_grid_info.mod structure_factors.mod kinds.mod base_hooks.mod fft_tools.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_gromos.mod' due to: topology_gromos.o /build/reproducible-path/cp2k-2023.1/src/topology_gromos.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod input_cp2k_restarts_util.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mm_collocate_potential.mod' due to: mm_collocate_potential.o /build/reproducible-path/cp2k-2023.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod pw_types.mod ao_util.mod kinds.mod base_hooks.mod cube_utils.mod -true -/build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F:303:15: - - 303 | IF (.NOT. ASSOCIATED(el)) THEN - | ^ -Warning: 'el' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F:277:62: - - 277 | TYPE(pw_type), POINTER :: el - | ^ -note: 'el' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'realspace_grid_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod cp_array_utils.mod message_passing.mod kahan_sum.mod cp_log_handling.mod offload_api.mod fast.mod machine.mod pw_methods.mod kinds.mod pw_grids.mod mathlib.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_types.F realspace_grid_types.F90 /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecule_list_types.mod' due to: molecule_list_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/molecule_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'task_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/task_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod grid_api.mod offload_api.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/task_list_types.F task_list_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_molecules.mod' due to: qs_loc_molecules.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod molecule_types.mod qs_loc_types.mod particle_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' task_list_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_subsys_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/cp_subsys_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod virial_types.mod cp_result_types.mod atprop_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod molecule_kind_list_types.mod multipole_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod colvar_types.mod kinds.mod cp_para_env.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' realspace_grid_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_subsys_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/subsys/cp_subsys_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod multipole_types.mod distribution_1d_types.mod atomic_kind_list_types.mod virial_types.mod cp_result_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod particle_types.mod cell_types.mod particle_list_types.mod atprop_types.mod kinds.mod base_hooks.mod cp_para_env.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/subsys/cp_subsys_types.F cp_subsys_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_molecules.mod' due to: qs_loc_molecules.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_molecules.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod qs_loc_types.mod cell_types.mod distribution_1d_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod memory_utilities.mod +true /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_mapping.F:576:38: 576 | ALLOCATE (map_info%s_kin(nsize)) @@ -7279,36 +7225,7 @@ 830 | INTEGER :: atm_offset, first_atom, handle, i, iatm, icount, id_region, ikind, ilist, imol, & | ^ note: 'iatm' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_pool_types.mod' due to: pw_pool_types.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod pw_grids.mod cp_log_handling.mod kinds.mod cp_linked_list_pw.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_subsys_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rs_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/rs_methods.F rs_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_spline_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_spline_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod pw_grid_types.mod pw_methods.mod message_passing.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_spline_utils.F pw_spline_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dirichlet_bc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rs_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dielectric_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_types.F dielectric_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_spline_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dirichlet_bc_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mt_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/mt_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/mt_util.F mt_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dielectric_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'task_list_types.mod' due to: task_list_types.o /build/reproducible-path/cp2k-2023.1/src/task_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod grid_api.mod offload_api.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mt_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_derivative_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod base_hooks.mod xc_derivative_desc.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_types.F xc_derivative_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 task_list_types.mod input_section_types.mod molecule_types.mod qs_dispersion_types.mod integration_grid_types.mod lri_environment_types.mod qs_neighbor_list_types.mod cp_dbcsr_operations.mod qs_grid_atom.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_environment_types.F kg_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_derivative_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dispersion_nonloc.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_dispersion_types.mod pw_pool_types.mod pw_types.mod pw_grid_types.mod cp_para_types.mod pw_methods.mod cp_files.mod message_passing.mod bibliography.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_nmr_epr_common_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/subsys/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_subsys_types.F90 /build/reproducible-path/cp2k-2023.1/src/fist_intra_force.F:119:64: 119 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: pv_a @@ -7341,23 +7258,38 @@ 118 | REAL(KIND=dp), DIMENSION(:), POINTER :: ener_a | ^ note: 'ener_a.data' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dispersion_nonloc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_epr_common_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F:1006:24: + + 1006 | IF (new_3 .AND. do_write_3) CALL dbt_write_tensor_info(tensor_3, unit_nr_prv, full_info=log_verbose) + | ^ +Warning: 'do_write_3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F:631:88: + + 631 | LOGICAL :: do_crop_1, do_crop_2, do_write_3, nodata_3, do_batched, pgrid_changed, & + | ^ +note: 'do_write_3' was declared here +/build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F:946:88: + + 946 | CALL mp_environ(tensor_large%pgrid%mp_comm_2d, 2, pdims_2d, pcoord_2d, periods_2d) + | ^ +Warning: 'tensor_large' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F:606:78: + + 606 | TYPE(dbt_type), POINTER :: tensor_small, tensor_large + | ^ +note: 'tensor_large' was declared here /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a' due to: virial_types.o shell_potential_types.o particle_types.o particle_list_types.o multipole_types.o molecule_types.o molecule_list_types.o molecule_kind_types.o molecule_kind_list_types.o force_field_kind_types.o external_potential_types.o damping_dipole_types.o cp_subsys_types.o colvar_types.o cell_types.o atprop_types.o atomic_kind_types.o atomic_kind_list_types.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dirichlet_bc_types.mod' due to: dirichlet_bc_types.o /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod base_hooks.mod kinds.mod -true ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a virial_types.o shell_potential_types.o particle_types.o particle_list_types.o multipole_types.o molecule_types.o molecule_list_types.o molecule_kind_types.o molecule_kind_list_types.o force_field_kind_types.o external_potential_types.o damping_dipole_types.o cp_subsys_types.o colvar_types.o cell_types.o atprop_types.o atomic_kind_types.o atomic_kind_list_types.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dielectric_types.mod' due to: dielectric_types.o /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mt_util.mod' due to: mt_util.o /build/reproducible-path/cp2k-2023.1/src/pw/mt_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_subsys_types.mod' due to: cp_subsys_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/cp_subsys_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod virial_types.mod cp_result_types.mod atprop_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod molecule_kind_list_types.mod multipole_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod colvar_types.mod kinds.mod cp_para_env.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_derivative_types.mod' due to: xc_derivative_types.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod base_hooks.mod xc_derivative_desc.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_subsys_types.mod' due to: cp_subsys_types.o /build/reproducible-path/cp2k-2023.1/src/subsys/cp_subsys_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod multipole_types.mod distribution_1d_types.mod atomic_kind_list_types.mod virial_types.mod cp_result_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod particle_types.mod cell_types.mod particle_list_types.mod atprop_types.mod kinds.mod base_hooks.mod cp_para_env.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod input_section_types.mod virial_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_environment_types.F nnp_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eip_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/eip_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod input_section_types.mod virial_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eip_environment_types.F eip_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_environment_types.F90 /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_mapping.F:121:38: 121 | ALLOCATE (map_info%s_kin(nsize)) @@ -7378,45 +7310,26 @@ 100 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const | ^ note: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_environment_types.mod' due to: kg_environment_types.o /build/reproducible-path/cp2k-2023.1/src/kg_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 task_list_types.mod input_section_types.mod molecule_types.mod qs_dispersion_types.mod integration_grid_types.mod lri_environment_types.mod qs_neighbor_list_types.mod cp_dbcsr_operations.mod qs_grid_atom.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eip_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/eip_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod atomic_kind_types.mod molecule_kind_list_types.mod virial_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod atomic_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eip_environment_types.F eip_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod atomic_kind_types.mod molecule_kind_list_types.mod virial_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod atomic_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_environment_types.F nnp_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eip_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'virial_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/virial_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod virial_types.mod cp_subsys_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod distribution_1d_types.mod cp_para_types.mod particle_list_types.mod mathlib.mod message_passing.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'embed_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/embed_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod cp_fm_types.mod distribution_1d_types.mod atomic_kind_list_types.mod pw_types.mod cp_result_types.mod lri_environment_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/embed_types.F embed_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eip_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'virial_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/virial_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod particle_list_types.mod distribution_1d_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod kinds.mod physcon.mod mathlib.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/virial_methods.F virial_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_vertex_coloring_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kg_environment_types.mod bibliography.mod cp_log_handling.mod input_constants.mod cp_min_heap.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' virial_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_vertex_coloring_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_nmr_epr_common_utils.mod' due to: qs_linres_nmr_epr_common_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fp_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/fp_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod cell_types.mod particle_types.mod fp_types.mod particle_list_types.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod beta_gamma_psi.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' embed_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fp_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/fp_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod particle_types.mod cell_types.mod fp_types.mod particle_list_types.mod base_hooks.mod beta_gamma_psi.mod cp_log_handling.mod mathconstants.mod kinds.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fp_methods.F fp_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F:851:32: - - 851 | IF (use_virial .AND. ABS(prefactor) > 0.0_dp) THEN - | ^ -Warning: 'prefactor' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F:757:84: - - 757 | dq_6, e, f, P, prefactor, tmp_1_2, & - | ^ -note: 'prefactor' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dimer_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod molecule_kind_list_types.mod cell_types.mod input_section_types.mod cp_subsys_types.mod molecule_kind_types.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' virial_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dimer_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod molecule_kind_types.mod cell_types.mod global_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/dimer_types.F dimer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fp_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod particle_types.mod negf_alloc_types.mod cp_subsys_types.mod molecule_kind_types.mod string_utilities.mod mathconstants.mod input_constants.mod physcon.mod kinds.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fp_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod negf_alloc_types.mod input_section_types.mod base_hooks.mod string_utilities.mod mathconstants.mod kinds.mod input_constants.mod physcon.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_control_types.F negf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dimer_types.F90 /build/reproducible-path/cp2k-2023.1/src/fp_methods.F:195:72: 195 | tmpstr = cp_iter_string(logger%iter_info, fp_env%print_section) | 1 Warning: CHARACTER expression will be truncated in assignment (15/80) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dimer_types.F90 /build/reproducible-path/cp2k-2023.1/src/fp_methods.F:181:53: 181 | fp_env%bias_weight = EXP(fp_env%bias_energy/kT) @@ -7427,12 +7340,209 @@ 64 | REAL(KIND=dp) :: c, dcdr, kT, r, rab(3), sf, strength | ^ note: 'kt' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_control_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eip_environment_types.mod' due to: eip_environment_types.o /build/reproducible-path/cp2k-2023.1/src/eip_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod input_section_types.mod virial_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermostat_mapping.mod' due to: thermostat_mapping.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod cell_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod simpar_types.mod base_hooks.mod message_passing.mod kinds.mod input_constants.mod util.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'virial_methods.mod' due to: virial_methods.o /build/reproducible-path/cp2k-2023.1/src/virial_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod particle_list_types.mod distribution_1d_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod kinds.mod physcon.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eip_silicon.o' due to: /build/reproducible-path/cp2k-2023.1/src/eip_silicon.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod eip_environment_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eip_silicon.F eip_silicon.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fp_methods.mod' due to: fp_methods.o /build/reproducible-path/cp2k-2023.1/src/fp_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod particle_types.mod cell_types.mod fp_types.mod particle_list_types.mod base_hooks.mod beta_gamma_psi.mod cp_log_handling.mod mathconstants.mod kinds.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_intra_force.mod' due to: fist_intra_force.o /build/reproducible-path/cp2k-2023.1/src/fist_intra_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod atprop_types.mod base_hooks.mod cp_log_handling.mod mol_force.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'al_system_mapping.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod al_system_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod simpar_types.mod thermostat_types.mod base_hooks.mod thermostat_mapping.mod message_passing.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_mapping.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod extended_system_types.mod csvr_system_types.mod distribution_1d_types.mod cp_para_types.mod simpar_types.mod thermostat_types.mod base_hooks.mod thermostat_mapping.mod message_passing.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' al_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eip_silicon.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dimer_types.mod' due to: dimer_types.o /build/reproducible-path/cp2k-2023.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod molecule_kind_types.mod cell_types.mod global_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_mapping.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'paw_proj_set_types.mod' due to: paw_proj_set_types.o /build/reproducible-path/cp2k-2023.1/src/paw_proj_set_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cp_control_types.mod input_section_types.mod base_hooks.mod orbital_transformation_matrices.mod memory_utilities.mod cp_log_handling.mod mathconstants.mod kinds.mod ao_util.mod mathlib.mod orbital_pointers.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_environment_types.mod' due to: nnp_environment_types.o /build/reproducible-path/cp2k-2023.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod input_section_types.mod virial_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'embed_types.mod' due to: embed_types.o /build/reproducible-path/cp2k-2023.1/src/embed_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod cp_fm_types.mod distribution_1d_types.mod atomic_kind_list_types.mod pw_types.mod cp_result_types.mod lri_environment_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'extended_system_mapping.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod simpar_types.mod thermostat_types.mod base_hooks.mod thermostat_mapping.mod message_passing.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_model.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_model.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod base_hooks.mod cp_log_handling.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_model.F nnp_model.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_acsf.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_acsf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod nnp_environment_types.mod cp_para_types.mod base_hooks.mod periodic_table.mod cp_log_handling.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_acsf.F nnp_acsf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' extended_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_model.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'al_system_mapping.mod' due to: al_system_mapping.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod al_system_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod simpar_types.mod thermostat_types.mod base_hooks.mod thermostat_mapping.mod message_passing.mod kinds.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_mapping.mod' due to: csvr_system_mapping.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod extended_system_types.mod csvr_system_types.mod distribution_1d_types.mod cp_para_types.mod simpar_types.mod thermostat_types.mod base_hooks.mod thermostat_mapping.mod message_passing.mod kinds.mod input_constants.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_acsf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dimer_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dimer_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/dimer_utils.F dimer_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dimer_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_methods.mod' due to: dbt_methods.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_tas_types.mod dbt_types.mod base_hooks.mod dbm_api.mod message_passing.mod dbt_tas_split.mod dbt_array_list_methods.mod dbt_tas_mm.mod dbt_reshape_ops.mod dbt_io.mod dbt_index.mod dbt_allocate_wrap.mod dbt_tas_base.mod kinds.mod dbt_split.mod dbt_block.mod util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'extended_system_mapping.mod' due to: extended_system_mapping.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod simpar_types.mod thermostat_types.mod base_hooks.mod thermostat_mapping.mod message_passing.mod kinds.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'al_system_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod simpar_types.mod al_system_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod thermostat_types.mod base_hooks.mod al_system_mapping.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_init.F al_system_init.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod parallel_rng_types.mod simpar_types.mod csvr_system_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod thermostat_types.mod base_hooks.mod csvr_system_mapping.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' al_system_init.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dimer_utils.mod' due to: dimer_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dimer_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod memory_utilities.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_init.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_control_types.mod' due to: negf_control_types.o /build/reproducible-path/cp2k-2023.1/src/negf_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod negf_alloc_types.mod input_section_types.mod base_hooks.mod string_utilities.mod mathconstants.mod kinds.mod input_constants.mod physcon.mod util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod message_passing.mod dbt_tas_test.mod dbt_io.mod dbt_index.mod dbt_allocate_wrap.mod dbt_tas_base.mod kinds.mod dbt_block.mod dbt_methods.mod dbm_tests.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_test.F dbt_test.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_model.mod' due to: nnp_model.o /build/reproducible-path/cp2k-2023.1/src/nnp_model.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod base_hooks.mod cp_log_handling.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'al_system_init.mod' due to: al_system_init.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod simpar_types.mod al_system_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod thermostat_types.mod base_hooks.mod al_system_mapping.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_test.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_init.mod' due to: csvr_system_init.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod parallel_rng_types.mod simpar_types.mod csvr_system_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod thermostat_types.mod base_hooks.mod csvr_system_mapping.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_subgroup_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 negf_control_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_subgroup_types.F negf_subgroup_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_subgroup_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_subgroup_types.mod' due to: negf_subgroup_types.o /build/reproducible-path/cp2k-2023.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 negf_control_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_connectivity_util.mod' due to: topology_connectivity_util.o /build/reproducible-path/cp2k-2023.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod topology_types.mod force_field_kind_types.mod input_section_types.mod base_hooks.mod string_table.mod memory_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod util.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'realspace_grid_types.mod' due to: realspace_grid_types.o /build/reproducible-path/cp2k-2023.1/src/pw/realspace_grid_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod cp_array_utils.mod message_passing.mod kahan_sum.mod cp_log_handling.mod offload_api.mod fast.mod machine.mod pw_methods.mod kinds.mod pw_grids.mod mathlib.mod util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'grid_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/grid/grid_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod base_hooks.mod string_utilities.mod message_passing.mod offload_api.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/grid/grid_api.F grid_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_linked_list_pw.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod realspace_grid_types.mod base_hooks.mod cp_array_utils.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/cp_linked_list_pw.F cp_linked_list_pw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/grid/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' grid_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dgs.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dgs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod structure_factors.mod fast.mod kinds.mod fft_tools.mod pw_grid_info.mod pw_grids.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dgs.F dgs.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cube_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/cube_utils.F cube_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_linked_list_pw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dgs.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_rsgrid.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod realspace_grid_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_rsgrid.F input_cp2k_rsgrid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cube_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_realspace_grid_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_init.F cp_realspace_grid_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_rsgrid.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pme_tools.o' due to: /build/reproducible-path/cp2k-2023.1/src/pme_tools.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod realspace_grid_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pme_tools.F pme_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_init.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_rsgrid.mod' due to: input_cp2k_rsgrid.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_rsgrid.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod realspace_grid_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cube_utils.mod' due to: cube_utils.o /build/reproducible-path/cp2k-2023.1/src/pw/cube_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mm_collocate_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod pw_types.mod base_hooks.mod ao_util.mod kinds.mod cube_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mm_collocate_potential.F mm_collocate_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pme_tools.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_linked_list_pw.mod' due to: cp_linked_list_pw.o /build/reproducible-path/cp2k-2023.1/src/pw/cp_linked_list_pw.F /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod realspace_grid_types.mod base_hooks.mod cp_array_utils.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:37:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mm_collocate_potential.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'grid_api.mod' due to: grid_api.o /build/reproducible-path/cp2k-2023.1/src/grid/grid_api.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod base_hooks.mod string_utilities.mod message_passing.mod offload_api.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_realspace_grid_init.mod' due to: cp_realspace_grid_init.o /build/reproducible-path/cp2k-2023.1/src/cp_realspace_grid_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a' due to: grid_api.o grid_task_list.o grid_replay.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a grid_api.o grid_task_list.o grid_replay.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_pool_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod cp_linked_list_pw.mod cp_log_handling.mod kinds.mod pw_grids.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F pw_pool_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'task_list_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/task_list_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod grid_api.mod offload_api.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/task_list_types.F task_list_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pme_tools.mod' due to: pme_tools.o /build/reproducible-path/cp2k-2023.1/src/pme_tools.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod realspace_grid_types.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_pool_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' task_list_types.F90 +/build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F:303:15: + + 303 | IF (.NOT. ASSOCIATED(el)) THEN + | ^ +Warning: 'el' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F:277:62: + + 277 | TYPE(pw_type), POINTER :: el + | ^ +note: 'el' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'task_list_types.mod' due to: task_list_types.o /build/reproducible-path/cp2k-2023.1/src/task_list_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod kinds.mod grid_api.mod offload_api.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 integration_grid_types.mod molecule_types.mod qs_dispersion_types.mod lri_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod base_hooks.mod qs_grid_atom.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_environment_types.F kg_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_pool_types.mod' due to: pw_pool_types.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_pool_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_types.mod base_hooks.mod cp_linked_list_pw.mod cp_log_handling.mod kinds.mod pw_grids.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dgs.mod' due to: dgs.o /build/reproducible-path/cp2k-2023.1/src/pw/dgs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod structure_factors.mod fast.mod kinds.mod fft_tools.mod pw_grid_info.mod pw_grids.mod mathlib.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dispersion_nonloc.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod qs_dispersion_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod mathconstants.mod kinds.mod input_constants.mod pw_methods.mod bibliography.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_nmr_epr_common_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod mathconstants.mod kinds.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dispersion_nonloc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eip_silicon.mod' due to: eip_silicon.o /build/reproducible-path/cp2k-2023.1/src/eip_silicon.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod eip_environment_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_epr_common_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mm_collocate_potential.mod' due to: mm_collocate_potential.o /build/reproducible-path/cp2k-2023.1/src/mm_collocate_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod pw_types.mod base_hooks.mod ao_util.mod kinds.mod cube_utils.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rs_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod realspace_grid_types.mod base_hooks.mod kinds.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/rs_methods.F rs_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_spline_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_spline_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod mathconstants.mod kinds.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_spline_utils.F pw_spline_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rs_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dielectric_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_types.F dielectric_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_spline_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dirichlet_bc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dielectric_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mt_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/mt_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod mathconstants.mod kinds.mod pw_methods.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/mt_util.F mt_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dirichlet_bc_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_derivative_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod base_hooks.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_types.F xc_derivative_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mt_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_environment_types.mod' due to: kg_environment_types.o /build/reproducible-path/cp2k-2023.1/src/kg_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 integration_grid_types.mod molecule_types.mod qs_dispersion_types.mod lri_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod base_hooks.mod qs_grid_atom.mod kinds.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_nmr_epr_common_utils.mod' due to: qs_linres_nmr_epr_common_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_epr_common_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod mathconstants.mod kinds.mod pw_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_acsf.mod' due to: nnp_acsf.o /build/reproducible-path/cp2k-2023.1/src/nnp_acsf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod nnp_environment_types.mod cp_para_types.mod base_hooks.mod periodic_table.mod cp_log_handling.mod mathconstants.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F:851:32: + + 851 | IF (use_virial .AND. ABS(prefactor) > 0.0_dp) THEN + | ^ +Warning: 'prefactor' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F:757:84: + + 757 | dq_6, e, f, P, prefactor, tmp_1_2, & + | ^ +note: 'prefactor' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_derivative_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dielectric_types.mod' due to: dielectric_types.o /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dirichlet_bc_types.mod' due to: dirichlet_bc_types.o /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mt_util.mod' due to: mt_util.o /build/reproducible-path/cp2k-2023.1/src/pw/mt_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod mathconstants.mod kinds.mod pw_methods.mod bibliography.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_vertex_coloring_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kg_environment_types.mod base_hooks.mod cp_log_handling.mod cp_min_heap.mod kinds.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod particle_types.mod atomic_kind_types.mod nnp_environment_types.mod distribution_1d_types.mod input_section_types.mod virial_types.mod base_hooks.mod cp_units.mod message_passing.mod periodic_table.mod cp_log_handling.mod nnp_model.mod nnp_acsf.mod kinds.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_force.F nnp_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_vertex_coloring_methods.F90 /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F:595:61: 595 | REAL(KIND=dp) :: g, g2, g2_last, g_multiplier, gm | ^ Warning: 'g' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_force.F90 /build/reproducible-path/cp2k-2023.1/src/kg_vertex_coloring_methods.F:202:61: 202 | graph(i)%vertex%color = newcolor ! smallest possible @@ -7453,32 +7563,6 @@ 77 | maxdegree, nneighbors, nnodes | ^ note: 'nneighbors' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_implicit_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dirichlet_bc_types.mod dielectric_types.mod pw_pool_types.mod pw_types.mod dct.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_types.F ps_implicit_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rs_methods.mod' due to: rs_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_pool_types.mod pw_types.mod realspace_grid_types.mod kinds.mod base_hooks.mod pw_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'embed_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/embed_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_result_types.mod cp_para_types.mod pw_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod cp_subsys_types.mod lri_environment_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod cp_log_handling.mod kinds.mod cp_para_env.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/embed_types.F embed_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_implicit_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' embed_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_linked_list_xc_deriv.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eip_environment_types.mod' due to: eip_environment_types.o /build/reproducible-path/cp2k-2023.1/src/eip_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod atomic_kind_types.mod molecule_kind_list_types.mod virial_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod atomic_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermostat_mapping.mod' due to: thermostat_mapping.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_mapping.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod simpar_types.mod molecule_types.mod extended_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod memory_utilities.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'virial_methods.mod' due to: virial_methods.o /build/reproducible-path/cp2k-2023.1/src/virial_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod virial_types.mod cp_subsys_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod distribution_1d_types.mod cp_para_types.mod particle_list_types.mod mathlib.mod message_passing.mod physcon.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_linked_list_xc_deriv.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_intra_force.mod' due to: fist_intra_force.o /build/reproducible-path/cp2k-2023.1/src/fist_intra_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod molecule_types.mod particle_types.mod atprop_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_log_handling.mod kinds.mod mol_force.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/xc/cp_linked_list_xc_deriv.F:53:9: - - 53 | $:inst(nametype1, type1, type1in, type1out, eq, arrayeq, type1arrayEl, arrayEl, private_routines) - | ^ -Warning: 'cp_sll_deriv_less_q' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fp_methods.mod' due to: fp_methods.o /build/reproducible-path/cp2k-2023.1/src/fp_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod cell_types.mod particle_types.mod fp_types.mod particle_list_types.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod beta_gamma_psi.mod -true /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F:1048:105: 1048 | dq0_dgradrho(i_grid) = total_rho(i_grid)*dq0_dq*2.0_dp*(-Z_ab)/(36.0_dp*kF*total_rho(i_grid)**2) @@ -7499,164 +7583,122 @@ 1155 | q_min, r_s, sqrt_r_s, Z_ab | ^ note: 'z_ab' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eip_silicon.o' due to: /build/reproducible-path/cp2k-2023.1/src/eip_silicon.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eip_environment_types.mod atomic_kind_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod particle_types.mod atomic_kind_list_types.mod distribution_1d_types.mod cp_para_types.mod cp_output_handling.mod message_passing.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eip_silicon.F eip_silicon.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dimer_types.mod' due to: dimer_types.o /build/reproducible-path/cp2k-2023.1/src/motion/dimer_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod molecule_kind_list_types.mod cell_types.mod input_section_types.mod cp_subsys_types.mod molecule_kind_types.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_implicit_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod dielectric_types.mod dirichlet_bc_types.mod pw_types.mod base_hooks.mod dct.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_types.F ps_implicit_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rs_methods.mod' due to: rs_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/rs_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod realspace_grid_types.mod base_hooks.mod kinds.mod pw_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_mapping.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 simpar_types.mod molecule_types.mod extended_system_types.mod thermostat_types.mod csvr_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod thermostat_mapping.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eip_silicon.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'al_system_mapping.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 simpar_types.mod molecule_types.mod extended_system_types.mod thermostat_types.mod al_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod thermostat_mapping.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' al_system_mapping.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_implicit_types.mod' due to: ps_implicit_types.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dirichlet_bc_types.mod dielectric_types.mod pw_pool_types.mod pw_types.mod dct.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_derivative_types.mod' due to: xc_derivative_types.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod base_hooks.mod kinds.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dielectric_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dielectric_types.mod pw_pool_types.mod pw_types.mod realspace_grid_types.mod pw_grid_types.mod pw_methods.mod mathconstants.mod dct.mod kinds.mod base_hooks.mod rs_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dielectric_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod dielectric_types.mod pw_grid_types.mod pw_types.mod realspace_grid_types.mod base_hooks.mod dct.mod mathconstants.mod kinds.mod rs_methods.mod pw_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_methods.F dielectric_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'embed_types.mod' due to: embed_types.o /build/reproducible-path/cp2k-2023.1/src/embed_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_result_types.mod cp_para_types.mod pw_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod cp_subsys_types.mod lri_environment_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod cp_log_handling.mod kinds.mod cp_para_env.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_linked_list_xc_deriv.mod' due to: cp_linked_list_xc_deriv.o /build/reproducible-path/cp2k-2023.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dielectric_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_environment_types.mod' due to: nnp_environment_types.o /build/reproducible-path/cp2k-2023.1/src/nnp_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod atomic_kind_types.mod molecule_kind_list_types.mod virial_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod atomic_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'extended_system_mapping.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 simpar_types.mod molecule_types.mod extended_system_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod base_hooks.mod thermostat_mapping.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_vertex_coloring_methods.mod' due to: kg_vertex_coloring_methods.o /build/reproducible-path/cp2k-2023.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kg_environment_types.mod bibliography.mod cp_log_handling.mod input_constants.mod cp_min_heap.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' extended_system_mapping.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_acsf.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_acsf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 nnp_environment_types.mod cell_types.mod cp_para_types.mod mathconstants.mod periodic_table.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_acsf.F nnp_acsf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_model.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_model.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_model.F nnp_model.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_acsf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dimer_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/dimer_utils.F dimer_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_mapping.mod' due to: csvr_system_mapping.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_mapping.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 simpar_types.mod molecule_types.mod extended_system_types.mod thermostat_types.mod csvr_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod thermostat_mapping.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_model.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dimer_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'al_system_mapping.mod' due to: al_system_mapping.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_mapping.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 simpar_types.mod molecule_types.mod extended_system_types.mod thermostat_types.mod al_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod thermostat_mapping.mod input_constants.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_implicit_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_linked_list_xc_deriv.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dielectric_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_linked_list_xc_deriv.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/cp_linked_list_xc_deriv.F:53:9: + + 53 | $:inst(nametype1, type1, type1in, type1out, eq, arrayeq, type1arrayEl, arrayEl, private_routines) + | ^ +Warning: 'cp_sll_deriv_less_q' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_implicit_types.mod' due to: ps_implicit_types.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod dielectric_types.mod dirichlet_bc_types.mod pw_types.mod base_hooks.mod dct.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_control_types.mod' due to: negf_control_types.o /build/reproducible-path/cp2k-2023.1/src/negf_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod particle_types.mod negf_alloc_types.mod cp_subsys_types.mod molecule_kind_types.mod string_utilities.mod mathconstants.mod input_constants.mod physcon.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_vertex_coloring_methods.mod' due to: kg_vertex_coloring_methods.o /build/reproducible-path/cp2k-2023.1/src/kg_vertex_coloring_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kg_environment_types.mod base_hooks.mod cp_log_handling.mod cp_min_heap.mod kinds.mod input_constants.mod bibliography.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_poisson_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod ps_wavelet_types.mod dirichlet_bc_types.mod dielectric_types.mod pw_pool_types.mod realspace_grid_types.mod pw_grid_types.mod ps_implicit_types.mod pw_grids.mod mathconstants.mod bessel_lib.mod kinds.mod mt_util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_poisson_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod ps_implicit_types.mod dielectric_types.mod dirichlet_bc_types.mod ps_wavelet_types.mod pw_grid_types.mod pw_types.mod realspace_grid_types.mod base_hooks.mod bessel_lib.mod mathconstants.mod kinds.mod pw_grids.mod mt_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_types.F pw_poisson_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_derivative_set_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod pw_grid_types.mod xc_derivative_types.mod pw_methods.mod message_passing.mod pw_grids.mod xc_derivative_desc.mod cp_linked_list_xc_deriv.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_poisson_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dispersion_nonloc.mod' due to: qs_dispersion_nonloc.o /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_dispersion_types.mod pw_pool_types.mod pw_types.mod pw_grid_types.mod cp_para_types.mod pw_methods.mod cp_files.mod message_passing.mod bibliography.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_derivative_set_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dimer_utils.mod' due to: dimer_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/dimer_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod cp_log_handling.mod kinds.mod memory_utilities.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod molecule_types.mod parallel_rng_types.mod thermostat_types.mod csvr_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod csvr_system_mapping.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'al_system_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod al_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod al_system_mapping.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_init.F al_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_subgroup_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 negf_control_types.mod cp_para_types.mod message_passing.mod cp_blacs_env.mod base_hooks.mod cp_para_env.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_subgroup_types.F negf_subgroup_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' al_system_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_test.mod' due to: dbt_test.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod dbt_index.mod message_passing.mod dbt_block.mod dbt_allocate_wrap.mod dbt_io.mod dbt_tas_base.mod dbm_tests.mod kinds.mod base_hooks.mod dbt_tas_test.mod dbt_methods.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_subgroup_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_derivative_set_types.mod' due to: xc_derivative_set_types.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod pw_grid_types.mod xc_derivative_types.mod pw_methods.mod message_passing.mod pw_grids.mod xc_derivative_desc.mod cp_linked_list_xc_deriv.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'extended_system_mapping.mod' due to: extended_system_mapping.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_mapping.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 simpar_types.mod molecule_types.mod extended_system_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod base_hooks.mod thermostat_mapping.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_init.mod' due to: csvr_system_init.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod molecule_types.mod parallel_rng_types.mod thermostat_types.mod csvr_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod csvr_system_mapping.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'al_system_init.mod' due to: al_system_init.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod al_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod al_system_mapping.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod message_passing.mod offload_api.mod dbm_api.mod kinds.mod base_hooks.mod dbt_test.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_unittest.F dbt_unittest.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod dbt_types.mod dbt_index.mod dbt_block.mod dbt_io.mod dbt_split.mod dbt_test.mod dbt_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_api.F dbt_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_unittest.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_model.mod' due to: nnp_model.o /build/reproducible-path/cp2k-2023.1/src/nnp_model.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod cp_log_handling.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_poisson_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_linked_list_xc_deriv.mod' due to: cp_linked_list_xc_deriv.o /build/reproducible-path/cp2k-2023.1/src/xc/cp_linked_list_xc_deriv.F /build/reproducible-path/cp2k-2023.1/src/common/cp_linked_list.fypp /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_subgroup_types.mod' due to: negf_subgroup_types.o /build/reproducible-path/cp2k-2023.1/src/negf_subgroup_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 negf_control_types.mod cp_para_types.mod message_passing.mod cp_blacs_env.mod base_hooks.mod cp_para_env.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_derivative_set_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod xc_derivative_types.mod base_hooks.mod cp_linked_list_xc_deriv.mod message_passing.mod pw_methods.mod kinds.mod pw_grids.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_derivative_set_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dispersion_nonloc.mod' due to: qs_dispersion_nonloc.o /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_nonloc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod qs_dispersion_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod mathconstants.mod kinds.mod input_constants.mod pw_methods.mod bibliography.mod cp_files.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_api.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a' due to: dbt_types.o dbt_test.o dbt_split.o dbt_reshape_ops.o dbt_methods.o dbt_io.o dbt_index.o dbt_block.o dbt_array_list_methods.o dbt_api.o dbt_allocate_wrap.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a dbt_types.o dbt_test.o dbt_split.o dbt_reshape_ops.o dbt_methods.o dbt_io.o dbt_index.o dbt_block.o dbt_array_list_methods.o dbt_api.o dbt_allocate_wrap.o -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_api.mod' due to: dbt_api.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_api.F dbt_types.mod dbt_index.mod dbt_block.mod dbt_io.mod dbt_split.mod dbt_test.mod dbt_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_derivative_set_types.mod' due to: xc_derivative_set_types.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivative_set_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod xc_derivative_types.mod base_hooks.mod cp_linked_list_xc_deriv.mod message_passing.mod pw_methods.mod kinds.mod pw_grids.mod xc_derivative_desc.mod true -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tensors_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod atomic_kind_types.mod basis_set_types.mod particle_types.mod distribution_2d_types.mod cp_para_types.mod message_passing.mod cp_blacs_env.mod base_hooks.mod cp_para_env.mod dbt_api.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tensors_types.F qs_tensors_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ot_types.mod qs_loc_types.mod cp_para_types.mod cp_fm_types.mod input_section_types.mod distribution_2d_types.mod libint_wrapper.mod physcon.mod cp_files.mod libint_2c_3c.mod mathlib.mod input_constants.mod kinds.mod dbt_api.mod cp_array_utils.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod cp_para_env.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_types.F xas_tdp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tensors_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_poisson_types.mod' due to: pw_poisson_types.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod ps_wavelet_types.mod dirichlet_bc_types.mod dielectric_types.mod pw_pool_types.mod realspace_grid_types.mod pw_grid_types.mod ps_implicit_types.mod pw_grids.mod mathconstants.mod bessel_lib.mod kinds.mod mt_util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_force.mod' due to: nnp_force.o /build/reproducible-path/cp2k-2023.1/src/nnp_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod particle_types.mod atomic_kind_types.mod nnp_environment_types.mod distribution_1d_types.mod input_section_types.mod virial_types.mod base_hooks.mod cp_units.mod message_passing.mod periodic_table.mod cp_log_handling.mod nnp_model.mod nnp_acsf.mod kinds.mod physcon.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dielectric_methods.mod' due to: dielectric_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dielectric_types.mod pw_pool_types.mod pw_types.mod realspace_grid_types.mod pw_grid_types.mod pw_methods.mod mathconstants.mod dct.mod kinds.mod base_hooks.mod rs_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_poisson_types.mod' due to: pw_poisson_types.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod ps_implicit_types.mod dielectric_types.mod dirichlet_bc_types.mod ps_wavelet_types.mod pw_grid_types.mod pw_types.mod realspace_grid_types.mod base_hooks.mod bessel_lib.mod mathconstants.mod kinds.mod pw_grids.mod mt_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ps_wavelet_types.mod pw_poisson_types.mod pw_types.mod pw_grid_types.mod message_passing.mod ps_wavelet_util.mod ps_wavelet_kernel.mod bibliography.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_wavelet_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod ps_wavelet_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod ps_wavelet_util.mod message_passing.mod kinds.mod bibliography.mod ps_wavelet_kernel.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dg_rho0_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_poisson_types.mod pw_types.mod kinds.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dirichlet_bc_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod ps_implicit_types.mod dirichlet_bc_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod mathconstants.mod pw_methods.mod kinds.mod rs_methods.mod physcon.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_methods.F dirichlet_bc_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dg_rho0_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod kinds.mod pw_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dg_rho0_types.F dg_rho0_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod realspace_grid_types.mod pw_poisson_types.mod pw_pool_types.mod cp_para_types.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod cube_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod realspace_grid_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod kinds.mod cube_utils.mod gaussian_gridlevels.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env/pw_env_types.F pw_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dg_rho0_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_poisson_read_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ps_wavelet_types.mod cell_types.mod dirichlet_bc_types.mod input_section_types.mod pw_poisson_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dirichlet_bc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_wavelet_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dg_rho0_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_poisson_read_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod cell_types.mod dirichlet_bc_types.mod ps_wavelet_types.mod input_section_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_poisson_read_input.F pw_poisson_read_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw_env/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pair_potential_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod mathconstants.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw_env/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pair_potential_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod base_hooks.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pair_potential_coulomb.F pair_potential_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_poisson_read_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_connectivity_util.mod' due to: topology_connectivity_util.o /build/reproducible-path/cp2k-2023.1/src/topology_connectivity_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod topology_types.mod force_field_kind_types.mod molecule_kind_types.mod string_table.mod cp_log_handling.mod input_constants.mod kinds.mod cp_output_handling.mod memory_utilities.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_poisson_read_input.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dielectric_methods.mod' due to: dielectric_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/dielectric_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod dielectric_types.mod pw_grid_types.mod pw_types.mod realspace_grid_types.mod base_hooks.mod dct.mod mathconstants.mod kinds.mod rs_methods.mod pw_methods.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pair_potential_coulomb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dirichlet_bc_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_poisson_types.mod pw_pool_types.mod pw_types.mod pw_grid_types.mod ps_implicit_types.mod pw_methods.mod mathlib.mod message_passing.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod rs_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_methods.F dirichlet_bc_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dg_rho0_types.mod' due to: dg_rho0_types.o /build/reproducible-path/cp2k-2023.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod pw_poisson_types.mod pw_types.mod kinds.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dg_rho0_types.mod' due to: dg_rho0_types.o /build/reproducible-path/cp2k-2023.1/src/pw/dg_rho0_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod kinds.mod pw_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_env_types.mod' due to: pw_env_types.o /build/reproducible-path/cp2k-2023.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod realspace_grid_types.mod pw_poisson_types.mod pw_pool_types.mod cp_para_types.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod cube_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pair_potential_coulomb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_env_types.mod' due to: pw_env_types.o /build/reproducible-path/cp2k-2023.1/src/pw_env/pw_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod realspace_grid_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod kinds.mod cube_utils.mod gaussian_gridlevels.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dirichlet_bc_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pair_potential_coulomb.mod' due to: pair_potential_coulomb.o /build/reproducible-path/cp2k-2023.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod mathconstants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pair_potential_coulomb.mod' due to: pair_potential_coulomb.o /build/reproducible-path/cp2k-2023.1/src/pair_potential_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod base_hooks.mod mathconstants.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gaussian_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod input_section_types.mod qmmm_gaussian_types.mod cp_para_types.mod ao_util.mod cp_log_handling.mod qmmm_gaussian_data.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod gaussian_gridlevels.mod base_hooks.mod qmmm_gaussian_input.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gaussian_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qmmm_gaussian_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod qmmm_gaussian_input.mod memory_utilities.mod cp_log_handling.mod kinds.mod ao_util.mod input_constants.mod qmmm_gaussian_data.mod gaussian_gridlevels.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_methods.mod' due to: ps_wavelet_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ps_wavelet_types.mod pw_poisson_types.mod pw_types.mod pw_grid_types.mod message_passing.mod ps_wavelet_util.mod ps_wavelet_kernel.mod bibliography.mod kinds.mod util.mod base_hooks.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_init.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dg_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/dg_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dg_rho0_types.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/dg_types.F dg_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tensors_types.mod' due to: qs_tensors_types.o /build/reproducible-path/cp2k-2023.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod atomic_kind_types.mod basis_set_types.mod particle_types.mod distribution_2d_types.mod cp_para_types.mod message_passing.mod cp_blacs_env.mod base_hooks.mod cp_para_env.mod dbt_api.mod cp_array_utils.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dg_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_qmmm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod pw_pool_types.mod pw_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cube_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_qmmm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod pw_types.mod base_hooks.mod kinds.mod cube_utils.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gaussian_init.mod' due to: qmmm_gaussian_init.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod input_section_types.mod qmmm_gaussian_types.mod cp_para_types.mod ao_util.mod cp_log_handling.mod qmmm_gaussian_data.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod gaussian_gridlevels.mod base_hooks.mod qmmm_gaussian_input.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dg_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gaussian_init.mod' due to: qmmm_gaussian_init.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gaussian_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qmmm_gaussian_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod qmmm_gaussian_input.mod memory_utilities.mod cp_log_handling.mod kinds.mod ao_util.mod input_constants.mod qmmm_gaussian_data.mod gaussian_gridlevels.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw_ic.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tensors_types.mod cp_para_types.mod message_passing.mod physcon.mod kinds.mod base_hooks.mod dbt_api.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_gw_ic.F rpa_gw_ic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw_ic.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dg_types.mod' due to: dg_types.o /build/reproducible-path/cp2k-2023.1/src/pw/dg_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dg_rho0_types.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_wavelet_methods.mod' due to: ps_wavelet_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_wavelet_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod ps_wavelet_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod ps_wavelet_util.mod message_passing.mod kinds.mod bibliography.mod ps_wavelet_kernel.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_qmmm_types.mod' due to: qs_ks_qmmm_types.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod pw_pool_types.mod pw_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cube_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dg_types.mod' due to: dg_types.o /build/reproducible-path/cp2k-2023.1/src/pw/dg_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dg_rho0_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_expns3_types.mod semi_empirical_mpole_types.mod basis_set_types.mod pw_pool_types.mod input_section_types.mod multipole_types.mod taper_types.mod dg_types.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pw_pool_types.mod semi_empirical_expns3_types.mod semi_empirical_mpole_types.mod multipole_types.mod dg_types.mod taper_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod physcon.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_types.F semi_empirical_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_types.mod' due to: xas_tdp_types.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ot_types.mod qs_loc_types.mod cp_para_types.mod cp_fm_types.mod input_section_types.mod distribution_2d_types.mod libint_wrapper.mod physcon.mod cp_files.mod libint_2c_3c.mod mathlib.mod input_constants.mod kinds.mod dbt_api.mod cp_array_utils.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod cp_para_env.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_qmmm_types.mod' due to: qs_ks_qmmm_types.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod pw_types.mod base_hooks.mod kinds.mod cube_utils.mod cp_dbcsr_operations.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_poisson_read_input.mod' due to: pw_poisson_read_input.o /build/reproducible-path/cp2k-2023.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ps_wavelet_types.mod cell_types.mod dirichlet_bc_types.mod input_section_types.mod pw_poisson_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_test.mod' due to: dbt_test.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod message_passing.mod dbt_tas_test.mod dbt_io.mod dbt_index.mod dbt_allocate_wrap.mod dbt_tas_base.mod kinds.mod dbt_block.mod dbt_methods.mod dbm_tests.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_unittest.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_unittest.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dbt_types.mod base_hooks.mod dbm_api.mod message_passing.mod offload_api.mod machine.mod kinds.mod dbt_test.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_unittest.F dbt_unittest.F90 /build/reproducible-path/cp2k-2023.1/src/semi_empirical_types.F:456:26: 456 | SUBROUTINE set_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & | ^ Warning: 'set_se_param' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dbt_api.o' due to: /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_api.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod dbt_types.mod dbt_io.mod dbt_test.mod dbt_index.mod dbt_split.mod dbt_block.mod dbt_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_api.F dbt_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_unittest.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_api.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/dbt/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dbt_api.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_poisson_read_input.mod' due to: pw_poisson_read_input.o /build/reproducible-path/cp2k-2023.1/src/pw_poisson_read_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod cell_types.mod dirichlet_bc_types.mod ps_wavelet_types.mod input_section_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a' due to: dbt_types.o dbt_test.o dbt_split.o dbt_reshape_ops.o dbt_methods.o dbt_io.o dbt_index.o dbt_block.o dbt_array_list_methods.o dbt_api.o dbt_allocate_wrap.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a dbt_types.o dbt_test.o dbt_split.o dbt_reshape_ops.o dbt_methods.o dbt_io.o dbt_index.o dbt_block.o dbt_array_list_methods.o dbt_api.o dbt_allocate_wrap.o +ar: /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dbt_api.mod' due to: dbt_api.o /build/reproducible-path/cp2k-2023.1/src/dbt/dbt_api.F dbt_types.mod dbt_io.mod dbt_test.mod dbt_index.mod dbt_split.mod dbt_block.mod dbt_methods.mod +true +creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tensors_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod distribution_2d_types.mod cp_para_types.mod base_hooks.mod dbt_api.mod cp_array_utils.mod message_passing.mod cp_para_env.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tensors_types.F qs_tensors_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_loc_types.mod qs_ot_types.mod cp_para_types.mod distribution_2d_types.mod input_section_types.mod cp_array_utils.mod qs_harmonics_atom.mod cp_files.mod memory_utilities.mod libint_wrapper.mod mathlib.mod dbt_api.mod libint_2c_3c.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod cp_para_env.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_types.F xas_tdp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tensors_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_types.mod' due to: semi_empirical_types.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pw_pool_types.mod semi_empirical_expns3_types.mod semi_empirical_mpole_types.mod multipole_types.mod dg_types.mod taper_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod physcon.mod kinds.mod input_constants.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_par_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod mathconstants.mod kinds.mod physcon.mod semi_empirical_int_arrays.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_par_utils.F semi_empirical_par_utils.F90 /build/reproducible-path/cp2k-2023.1/src/pw/pw_spline_utils.F:944:87: 944 | weights(i, j, k) = REAL(idirVal, dp)*coeffs(ABS(i) + ABS(j) + ABS(k)) @@ -7667,39 +7709,9 @@ 925 | INTEGER :: i, idirVal, j, k | ^ note: 'idirval' was declared here -/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:164: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbt_unittest.psmp' due to: dbt_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbt_unittest.psmp dbt_unittest.o -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eip_silicon.mod' due to: eip_silicon.o /build/reproducible-path/cp2k-2023.1/src/eip_silicon.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eip_environment_types.mod atomic_kind_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod particle_types.mod atomic_kind_list_types.mod distribution_1d_types.mod cp_para_types.mod cp_output_handling.mod message_passing.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw_ic.mod' due to: rpa_gw_ic.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tensors_types.mod cp_para_types.mod message_passing.mod physcon.mod kinds.mod base_hooks.mod dbt_api.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_spline_utils.mod' due to: pw_spline_utils.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_spline_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod pw_grid_types.mod pw_methods.mod message_passing.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod pw_spline_utils.mod xc_input_constants.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_util.F xc_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_spline_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod pw_pool_types.mod pw_types.mod pw_spline_utils.mod kinds.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env/cp_spline_utils.F cp_spline_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_poisson.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod dielectric_types.mod input_section_types.mod multipole_types.mod input_keyword_types.mod cell_types.mod dirichlet_bc_types.mod input_val_types.mod ps_implicit_types.mod bibliography.mod cp_output_handling.mod string_utilities.mod cp_units.mod input_cp2k_rsgrid.mod input_constants.mod dct.mod kinds.mod pw_spline_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw_env/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_spline_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_spline_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod cell_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod cp_para_types.mod pw_methods.mod message_passing.mod pw_spline_utils.mod pw_grids.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_spline_util.F ewald_spline_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod particle_types.mod pw_types.mod cp_para_types.mod mathlib.mod message_passing.mod kahan_sum.mod pw_spline_utils.mod mathconstants.mod cp_log_handling.mod input_constants.mod kinds.mod spherical_harmonics.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_methods.F cp_ddapc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_spline_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_poisson.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_acsf.mod' due to: nnp_acsf.o /build/reproducible-path/cp2k-2023.1/src/nnp_acsf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 nnp_environment_types.mod cell_types.mod cp_para_types.mod mathconstants.mod periodic_table.mod cp_log_handling.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_util.mod' due to: xc_util.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod pw_spline_utils.mod xc_input_constants.mod base_hooks.mod pw_methods.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_spline_utils.mod' due to: cp_spline_utils.o /build/reproducible-path/cp2k-2023.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod pw_pool_types.mod pw_types.mod pw_spline_utils.mod kinds.mod base_hooks.mod pw_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_types.mod' due to: semi_empirical_types.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_expns3_types.mod semi_empirical_mpole_types.mod basis_set_types.mod pw_pool_types.mod input_section_types.mod multipole_types.mod taper_types.mod dg_types.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rs_pw_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod input_section_types.mod realspace_grid_types.mod pw_pool_types.mod pw_types.mod cp_spline_utils.mod cp_log_handling.mod kinds.mod gaussian_gridlevels.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int3_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod kinds.mod input_constants.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_par_utils.F90 /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_methods.F:1025:58: 1025 | yub(j) = base_center(2) + h*COS(alpha_rotd(j)) @@ -7710,53 +7722,9 @@ 819 | REAL(dp) :: cntrlaxis_lb, cntrlaxis_ub, h, Lx, Ly, & | ^ note: 'h' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int3_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_int_arrays.mod input_constants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw_env/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rs_pw_interface.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_gks.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod pw_pool_types.mod multipole_types.mod dg_types.mod dg_rho0_types.mod pw_grid_types.mod semi_empirical_int_arrays.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_gks.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod dg_rho0_types.mod semi_empirical_mpole_types.mod pw_grid_types.mod multipole_types.mod dg_types.mod semi_empirical_types.mod base_hooks.mod mathconstants.mod kinds.mod semi_empirical_int_arrays.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_gks.F semi_empirical_int_gks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int3_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 nnp_environment_types.mod atomic_kind_types.mod cp_subsys_types.mod virial_types.mod input_section_types.mod particle_types.mod distribution_1d_types.mod message_passing.mod cp_units.mod nnp_acsf.mod nnp_model.mod cp_log_handling.mod periodic_table.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_force.F nnp_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_gks.F90 -/build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F:118:32: - - 118 | add = (pij + pkl)**2 - | ^ -Warning: 'pkl' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F:80:84: - - 80 | REAL(KIND=dp) :: add, ccc, chrg, pij, pkl, sum - | ^ -note: 'pkl' was declared here -/build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F:118:32: - - 118 | add = (pij + pkl)**2 - | ^ -Warning: 'pij' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F:80:79: - - 80 | REAL(KIND=dp) :: add, ccc, chrg, pij, pkl, sum - | ^ -note: 'pij' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_force.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_rho_set_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod xc_rho_cflags_types.mod pw_pool_types.mod pw_types.mod pw_spline_utils.mod xc_util.mod xc_input_constants.mod kinds.mod base_hooks.mod pw_methods.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_par_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_int_arrays.mod mathlib.mod mathconstants.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_par_utils.F semi_empirical_par_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rs_pw_interface.mod' due to: rs_pw_interface.o /build/reproducible-path/cp2k-2023.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod input_section_types.mod realspace_grid_types.mod pw_pool_types.mod pw_types.mod cp_spline_utils.mod cp_log_handling.mod kinds.mod gaussian_gridlevels.mod base_hooks.mod pw_methods.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_rho_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_par_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int3_utils.mod' due to: semi_empirical_int3_utils.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_int_arrays.mod input_constants.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a' due to: rs_pw_interface.o pw_env_types.o gaussian_gridlevels.o cp_spline_utils.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a rs_pw_interface.o pw_env_types.o gaussian_gridlevels.o cp_spline_utils.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_int_arrays.mod semi_empirical_int3_utils.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int3_utils.F90 /build/reproducible-path/cp2k-2023.1/src/semi_empirical_par_utils.F:985:10: 985 | IF (f1 >= f2) THEN @@ -7777,13 +7745,31 @@ 951 | REAL(KIND=dp) :: a1, a2, delta, dsq, ev4, ev8, f1, f2, & | ^ note: 'f1' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_spline_util.mod' due to: ewald_spline_util.o /build/reproducible-path/cp2k-2023.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod cell_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod cp_para_types.mod pw_methods.mod message_passing.mod pw_spline_utils.mod pw_grids.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_gks.F90 +/build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F:118:32: + + 118 | add = (pij + pkl)**2 + | ^ +Warning: 'pkl' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F:80:84: + + 80 | REAL(KIND=dp) :: add, ccc, chrg, pij, pkl, sum + | ^ +note: 'pkl' was declared here +/build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F:118:32: + + 118 | add = (pij + pkl)**2 + | ^ +Warning: 'pij' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F:80:79: + + 80 | REAL(KIND=dp) :: add, ccc, chrg, pij, pkl, sum + | ^ +note: 'pij' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int3_utils.mod' due to: semi_empirical_int3_utils.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int3_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod kinds.mod input_constants.mod semi_empirical_int_arrays.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_poisson.mod' due to: input_cp2k_poisson.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod dielectric_types.mod input_section_types.mod multipole_types.mod input_keyword_types.mod cell_types.mod dirichlet_bc_types.mod input_val_types.mod ps_implicit_types.mod bibliography.mod cp_output_handling.mod string_utilities.mod cp_units.mod input_cp2k_rsgrid.mod input_constants.mod dct.mod kinds.mod pw_spline_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tensors_types.mod' due to: qs_tensors_types.o /build/reproducible-path/cp2k-2023.1/src/qs_tensors_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod distribution_2d_types.mod cp_para_types.mod base_hooks.mod dbt_api.mod cp_array_utils.mod message_passing.mod cp_para_env.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_mm.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod force_field_kind_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_field.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod input_cp2k_poisson.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mm.F input_cp2k_mm.F90 /build/reproducible-path/cp2k-2023.1/src/semi_empirical_par_utils.F:282:28: 282 | END FUNCTION get_se_basis @@ -7794,21 +7780,32 @@ 254 | FUNCTION get_se_basis(sep, l) RESULT(n) | ^ note: 'n' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod input_keyword_types.mod input_section_types.mod pw_poisson_types.mod cp_para_types.mod input_cp2k_poisson.mod message_passing.mod cp_para_env.mod cp_units.mod mathconstants.mod cp_log_handling.mod pw_grid_info.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_environment_types.F ewald_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_mm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dirichlet_bc_methods.mod' due to: dirichlet_bc_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_poisson_types.mod pw_pool_types.mod pw_types.mod pw_grid_types.mod ps_implicit_types.mod pw_methods.mod mathlib.mod message_passing.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod rs_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod semi_empirical_int3_utils.mod kinds.mod input_constants.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw_ic.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tensors_types.mod cp_para_types.mod base_hooks.mod dbt_api.mod message_passing.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_gw_ic.F rpa_gw_ic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw_ic.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_par_utils.mod' due to: semi_empirical_par_utils.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod mathconstants.mod kinds.mod physcon.mod semi_empirical_int_arrays.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_par_utils.mod' due to: semi_empirical_par_utils.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_par_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_int_arrays.mod mathlib.mod mathconstants.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_spline_utils.mod' due to: pw_spline_utils.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_spline_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod mathconstants.mod kinds.mod pw_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc_methods.mod' due to: cp_ddapc_methods.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod particle_types.mod pw_types.mod cp_para_types.mod mathlib.mod message_passing.mod kahan_sum.mod pw_spline_utils.mod mathconstants.mod cp_log_handling.mod input_constants.mod kinds.mod spherical_harmonics.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_types.mod' due to: xas_tdp_types.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_loc_types.mod qs_ot_types.mod cp_para_types.mod distribution_2d_types.mod input_section_types.mod cp_array_utils.mod qs_harmonics_atom.mod cp_files.mod memory_utilities.mod libint_wrapper.mod mathlib.mod dbt_api.mod libint_2c_3c.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod cp_para_env.mod qs_grid_atom.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_implicit_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_poisson_types.mod dielectric_types.mod pw_pool_types.mod pw_types.mod pw_grid_types.mod ps_implicit_types.mod pw_methods.mod message_passing.mod kahan_sum.mod bibliography.mod dirichlet_bc_methods.mod mathconstants.mod cp_log_handling.mod dct.mod kinds.mod base_hooks.mod dielectric_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_parameters.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod periodic_table.mod semi_empirical_par_utils.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_parameters.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod periodic_table.mod kinds.mod input_constants.mod physcon.mod semi_empirical_par_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_implicit_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_mpole_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod base_hooks.mod kinds.mod input_constants.mod semi_empirical_int_arrays.mod semi_empirical_par_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_parameters.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod base_hooks.mod pw_spline_utils.mod xc_input_constants.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_util.F xc_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_poisson.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dielectric_types.mod dirichlet_bc_types.mod multipole_types.mod ps_implicit_types.mod pw_poisson_types.mod input_keyword_types.mod cell_types.mod input_val_types.mod input_section_types.mod bibliography.mod string_utilities.mod cp_units.mod input_cp2k_rsgrid.mod pw_spline_utils.mod dct.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_spline_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod input_section_types.mod base_hooks.mod pw_spline_utils.mod kinds.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env/cp_spline_utils.F cp_spline_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_poisson.F90 /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F:315:38: 315 | add = (pij + pkl)**2 @@ -7829,13 +7826,9 @@ 259 | fact_screen, pij, pkl, s1, sum | ^ note: 'pij' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_mpole_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod semi_empirical_int_arrays.mod semi_empirical_par_utils.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_environment_types.mod' due to: ewald_environment_types.o /build/reproducible-path/cp2k-2023.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod input_keyword_types.mod input_section_types.mod pw_poisson_types.mod cp_para_types.mod input_cp2k_poisson.mod message_passing.mod cp_para_env.mod cp_units.mod mathconstants.mod cp_log_handling.mod pw_grid_info.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_parameters.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_nonbond_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atprop_types.mod ewald_environment_types.mod splines_types.mod atomic_kind_types.mod shell_potential_types.mod fist_neighbor_list_types.mod distribution_1d_types.mod cell_types.mod particle_types.mod pair_potential_types.mod cp_log_handling.mod machine.mod pair_potential_coulomb.mod splines_methods.mod kinds.mod mathconstants.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F fist_nonbond_force.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cell_types.mod pw_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod pw_spline_utils.mod spherical_harmonics.mod message_passing.mod cp_log_handling.mod kahan_sum.mod mathconstants.mod kinds.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_methods.F cp_ddapc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw_env/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_spline_utils.F90 /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F:1215:38: 1215 | add = (pij + pkl)**2 @@ -7856,225 +7849,50 @@ 1159 | pij, pkl, s1, sum | ^ note: 'pij' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_nonbond_force.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_rho_set_types.mod' due to: xc_rho_set_types.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_grid_types.mod xc_rho_cflags_types.mod pw_pool_types.mod pw_types.mod pw_spline_utils.mod xc_util.mod xc_input_constants.mod kinds.mod base_hooks.mod pw_methods.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_spline_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod cell_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod pw_spline_utils.mod message_passing.mod cp_log_handling.mod pw_methods.mod kinds.mod pw_grids.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_spline_util.F ewald_spline_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw_ic.mod' due to: rpa_gw_ic.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw_ic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tensors_types.mod cp_para_types.mod base_hooks.mod dbt_api.mod message_passing.mod kinds.mod physcon.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_mpole_methods.mod' due to: semi_empirical_mpole_methods.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod semi_empirical_int_arrays.mod semi_empirical_par_utils.mod input_constants.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_spline_util.F90 +/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:164: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbt_unittest.psmp' due to: dbt_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dbt_unittest.psmp dbt_unittest.o -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dirichlet_bc_methods.mod' due to: dirichlet_bc_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/dirichlet_bc_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod ps_implicit_types.mod dirichlet_bc_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod mathconstants.mod pw_methods.mod kinds.mod rs_methods.mod physcon.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_pbe.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod xc_input_constants.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F xc_pbe.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_b97.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod xc_input_constants.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_b97.F xc_b97.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_pbe.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_perdew_zunger.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod bibliography.mod xc_input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_b97.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_lyp.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp.F xc_lyp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_perdew_zunger.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbecke_roussel.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:440:96: - - 440 | ei_interaction_cutoffs(2, kind_a, kind_b)) - | ^ -Warning: 'qcore_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:60: - - 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qcore_b' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_lyp.F90 -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:397:96: - - 397 | ei_interaction_cutoffs(1, kind_a, kind_b)) - | ^ -Warning: 'qcore_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:51: - - 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qcore_a' was declared here -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:417:96: - - 417 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qshell_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:96: - - 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qshell_b' was declared here -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:417:96: - - 417 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qshell_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:86: - - 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qshell_a' was declared here -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:476:96: - - 476 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qeff_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:76: - - 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qeff_b' was declared here -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:458:96: - - 458 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qeff_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:68: - - 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qeff_a' was declared here -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:99:59: - - 99 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type - | ^ -Warning: 'shell_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:444:59: - - 444 | ELSE IF ((shell_type == nosh_sh) .AND. (shell_a == 0)) THEN - | ^ -Warning: 'shell_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:99:50: - - 99 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type - | ^ -note: 'shell_a' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbecke88.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88.F xc_xbecke88.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1108:55: - - 1108 | t1385 = 0.1e1_dp/t1380*t469*mu*t101*s - | ^ -Warning: 'mu' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:431:24: - - 431 | kfrhorhorho, mu, my_norm_drho, my_rho, p_1, p_2, rs, rs2rho, rsrho, rsrhorho, & - | ^ -note: 'mu' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1109:34: - - 1109 | t1386 = kappa**2 - | ^ -Warning: 'kappa' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:430:66: - - 430 | k_s1rhorho, k_s2rho, k_srho, k_srho1rho, k_srhorho, kappa, kf, kf2rho, kfrho, kfrhorho, & - | ^ -note: 'kappa' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:956:34: - - 956 | t879 = beta/t877 - | ^ -Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:423:25: - - 423 | Arhorhorho, beta, beta_1_1, beta_2_1, beta_3_1, beta_4_1, e_c_u_0, e_c_u_01rho, & - | ^ -note: 'beta' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:685:60: - - 685 | + tr*r(2) + tzz*z(0, 1)**2 + tz*z(0, 2) - | ^ -Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:614:63: - - 614 | tzz, tzzz - | ^ -note: 'tzz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:679:56: - - 679 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:89: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:682:65: - - 682 | + tr*r(2) + tzz*z(1, 0)*z(0, 1) + tz*z(1, 1) - | ^ -Warning: 'trr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:72: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trr' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:717:62: - - 717 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) - | ^ -Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:99: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:695:58: - - 695 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:67: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tr' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:717:62: - - 717 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) - | ^ -Warning: 'tzzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:614:69: - - 614 | tzz, tzzz - | ^ -note: 'tzzz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:703:74: - - 703 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) - | ^ -Warning: 'trzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:95: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trzz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:695:58: - - 695 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:84: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trrz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:703:74: - - 703 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) - | ^ -Warning: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:78: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trrr' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbecke_roussel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbecke88.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_mpole_methods.mod' due to: semi_empirical_mpole_methods.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_mpole_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod base_hooks.mod kinds.mod input_constants.mod semi_empirical_int_arrays.mod semi_empirical_par_utils.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_util.mod' due to: xc_util.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod base_hooks.mod pw_spline_utils.mod xc_input_constants.mod pw_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_spline_utils.mod' due to: cp_spline_utils.o /build/reproducible-path/cp2k-2023.1/src/pw_env/cp_spline_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_types.mod input_section_types.mod base_hooks.mod pw_spline_utils.mod kinds.mod pw_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ps_implicit_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod ps_implicit_types.mod dielectric_types.mod dirichlet_bc_types.mod pw_grid_types.mod pw_types.mod dirichlet_bc_methods.mod base_hooks.mod dct.mod message_passing.mod cp_log_handling.mod kahan_sum.mod mathconstants.mod bibliography.mod kinds.mod pw_methods.mod dielectric_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_rho_set_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod xc_rho_cflags_types.mod base_hooks.mod pw_spline_utils.mod xc_util.mod cp_array_utils.mod kinds.mod xc_input_constants.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ps_implicit_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rs_pw_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod pw_types.mod realspace_grid_types.mod input_section_types.mod base_hooks.mod cp_spline_utils.mod cp_log_handling.mod kinds.mod pw_methods.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_rho_set_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_gks.mod' due to: semi_empirical_int_gks.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod dg_rho0_types.mod semi_empirical_mpole_types.mod pw_grid_types.mod multipole_types.mod dg_types.mod semi_empirical_types.mod base_hooks.mod mathconstants.mod kinds.mod semi_empirical_int_arrays.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw_env/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rs_pw_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_poisson.mod' due to: input_cp2k_poisson.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_poisson.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dielectric_types.mod dirichlet_bc_types.mod multipole_types.mod ps_implicit_types.mod pw_poisson_types.mod input_keyword_types.mod cell_types.mod input_val_types.mod input_section_types.mod bibliography.mod string_utilities.mod cp_units.mod input_cp2k_rsgrid.mod pw_spline_utils.mod dct.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_mm.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod force_field_kind_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_field.mod string_utilities.mod cp_units.mod input_cp2k_poisson.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mm.F input_cp2k_mm.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod input_keyword_types.mod input_enumeration_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod message_passing.mod input_cp2k_poisson.mod cp_para_env.mod cp_log_handling.mod mathconstants.mod kinds.mod pw_grid_info.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_environment_types.F ewald_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_mm.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_spline_util.mod' due to: ewald_spline_util.o /build/reproducible-path/cp2k-2023.1/src/ewald_spline_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod cell_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod pw_spline_utils.mod message_passing.mod cp_log_handling.mod pw_methods.mod kinds.mod pw_grids.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rs_pw_interface.mod' due to: rs_pw_interface.o /build/reproducible-path/cp2k-2023.1/src/pw_env/rs_pw_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod pw_types.mod realspace_grid_types.mod input_section_types.mod base_hooks.mod cp_spline_utils.mod cp_log_handling.mod kinds.mod pw_methods.mod gaussian_gridlevels.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a' due to: rs_pw_interface.o pw_env_types.o gaussian_gridlevels.o cp_spline_utils.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a rs_pw_interface.o pw_env_types.o gaussian_gridlevels.o cp_spline_utils.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F:1959:60: 1959 | d_d(:, 1, 5) = pt5sq3*(s2a_d*sb2 + s2a*sb2_d) @@ -8170,3704 +7988,805 @@ 1701 | sqb, sqb2i, x11, x22, x33 | ^ note: 'sqb' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_rho_set_types.mod' due to: xc_rho_set_types.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_rho_set_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_grid_types.mod pw_types.mod xc_rho_cflags_types.mod base_hooks.mod pw_spline_utils.mod xc_util.mod cp_array_utils.mod kinds.mod xc_input_constants.mod pw_methods.mod +true +/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:1203:87: - 2592 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2297:36: + 1203 | CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw + | ^ +Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:1097:82: - 2297 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2585:24: + 1097 | REAL(dp) :: tile_volume, vol_scfac + | ^ +note: 'vol_scfac' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kpp1_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_rho_set_types.mod xc_derivative_set_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_environment_types.mod' due to: ewald_environment_types.o /build/reproducible-path/cp2k-2023.1/src/ewald_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod input_keyword_types.mod input_enumeration_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod message_passing.mod input_cp2k_poisson.mod cp_para_env.mod cp_log_handling.mod mathconstants.mod kinds.mod pw_grid_info.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_libxc.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod input_keyword_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_libxc_wrap.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc.F xc_libxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc_methods.mod' due to: cp_ddapc_methods.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cell_types.mod pw_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod pw_spline_utils.mod spherical_harmonics.mod message_passing.mod cp_log_handling.mod kahan_sum.mod mathconstants.mod kinds.mod input_constants.mod mathlib.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_libxc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xpbe_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_exchange_gga.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod cp_log_handling.mod mathconstants.mod kinds.mod xc_input_constants.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xpbe_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_perdew_zunger.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod xc_input_constants.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_exchange_gga.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_thomas_fermi.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_perdew_zunger.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1174:75: - 2585 | t662 = t612*t98 + 1174 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:841:24: + + 841 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2297:31: +note: 'p' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2297 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2565:34: + 1051 | Clda)*sx + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:81: - 2565 | + t36*t37/0.4e1_dp + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: + + 1051 | Clda)*sx | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2297:11: +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:66: - 2297 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2470:24: + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2470 | t318 = t123*t81 - | ^ + 1051 | Clda)*sx + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:61: + + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: + + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:56: + + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: + + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:51: + + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1013:32: + + 1013 | t352 = 0.1e1_dp/t85/t33 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:46: + + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: + + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:41: + + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: + + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:36: + + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: + + 1051 | Clda)*sx + | ^ Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:81: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:31: - 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ note: 't81' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2567:29: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1024:23: - 2567 | t600 = t598*t80*t184 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:76: + 1024 | t415 = t79*t21 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:22: - 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2565:34: + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't79' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1059:38: - 2565 | + t36*t37/0.4e1_dp - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:71: + 1059 | t531 = F1*t235*t34 - t77*t529 + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:17: - 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2428:25: + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2428 | t215 = t76*gamma - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:62: + 1051 | Clda)*sx + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:12: - 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2535:24: + 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1027:23: - 2535 | t504 = t74*t227 - | ^ + 1027 | t461 = t74*t21 + | ^ Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:96: - 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ + 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ note: 't74' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2503:58: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2503 | *t383 - 0.80e2_dp/0.729e3_dp*t94*t220*t387 - | ^ + 1051 | Clda)*sx + | ^ Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:91: - 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ + 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ note: 't7' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2423:25: - - 2423 | t205 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2295:58: - - 2295 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2433:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2433 | t227 = 0.1e1_dp/t65/t29 - | ^ + 1083 | *t155)*Clda)*sx + | ^ Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2295:35: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:87: - 2295 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 - | ^ + 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2533:23: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2533 | t500 = t64*t76 - | ^ + 1051 | Clda)*sx + | ^ Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2295:18: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:82: - 2295 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 - | ^ + 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ note: 't64' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2432:22: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2432 | t224 = t6*t63 - | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2294:96: + 1051 | Clda)*sx + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:67: - 2294 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & - | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2405:22: + 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2405 | t161 = t6*rho - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2294:51: + 1051 | Clda)*sx + | ^ +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:51: - 2294 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2406:25: +note: 't58' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1001:22: - 2406 | t163 = t57*gamma - | ^ -Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2294:12: + 1001 | t305 = t56**2 + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:40: - 2294 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & - | ^ -note: 't57' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2531:23: + 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't56' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2531 | t496 = t55*t66 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2293:81: + 1051 | Clda)*sx + | ^ +Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:82: - 2293 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2503:58: + 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ +note: 't52' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1000:28: - 2503 | *t383 - 0.80e2_dp/0.729e3_dp*t94*t220*t387 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2293:58: + 1000 | t299 = 0.1e1_dp/t51 + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:71: - 2293 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2418:22: + 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:971:47: - 2418 | t187 = t7*t45 - | ^ + 971 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:66: + + 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: + + 1083 | *t155)*Clda)*sx + | ^ Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2291:69: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:17: - 2291 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & - | ^ + 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ note: 't45' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2468:21: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2468 | t310 = R*t43 - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2291:35: + 1051 | Clda)*sx + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:12: - 2291 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2413:28: + 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ +note: 't44' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2413 | t179 = 0.1e1_dp/t41 + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:55: + + 849 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:989:27: + + 989 | *t37*t248 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:28: + + 849 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2290:87: +note: 't39' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2290 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2526:31: + 1051 | Clda)*sx + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:17: - 2526 | - t36*t37*gamma - | ^ + 849 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^ +note: 't38' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: + + 1051 | Clda)*sx + | ^ Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2290:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:12: - 2290 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & - | ^ + 849 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^ note: 't37' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2526:31: - - 2526 | - t36*t37*gamma - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2289:97: - - 2289 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2402:28: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2402 | t154 = 0.1e1_dp/t35 - | ^ + 1051 | Clda)*sx + | ^ Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2289:74: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:78: - 2289 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & - | ^ + 848 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^ note: 't35' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2420:25: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2420 | t192 = t30*gamma - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2288:39: + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:61: - 2288 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2433:32: + 848 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^ +note: 't34' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:995:45: - 2433 | t227 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2288:18: + 995 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:32: - 2288 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2529:23: + 848 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:969:59: - 2529 | t492 = t28*t57 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2287:80: + 969 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:51: - 2287 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2451:25: + 847 | t29, t292, t297, t299, t3, t305, t307, t31, t317, t320, t324 + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:984:24: - 2451 | t224*t229 - | ^ + 984 | t242 = t27*t225 + | ^ Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2287:51: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:59: - 2287 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ + 846 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & + | ^ note: 't27' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2464:42: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1021:23: - 2464 | *t110*t275 - t109*t112/t26 - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2287:34: + 1021 | t406 = t25*t31 + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:42: - 2287 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2412:49: + 846 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:978:54: - 2412 | *t4*t144*t19 - t175*t151/0.8e1_dp - | ^ -Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2285:75: + 978 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:845:75: - 2285 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & + 845 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & | ^ -note: 't20' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2412:49: +note: 't22' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1027:23: - 2412 | *t4*t144*t19 - t175*t151/0.8e1_dp - | ^ + 1027 | t461 = t74*t21 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:845:46: + + 845 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:981:24: + + 981 | t232 = t19*t225 + | ^ Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2285:48: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:72: - 2285 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & - | ^ + 844 | t172, t173, t174, t178, t179, t180, t183, t184, t185, t188, t19, t190, t191, t192, t193, & + | ^ note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2594:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1007:22: - 2594 | *t271*t650/0.24e2_dp)*sx - | ^ -Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:37: + 1007 | t330 = g4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:89: - 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't138' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2483:76: + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2483 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:31: + 1051 | Clda)*sx + | ^ +Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:78: - 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2594:66: + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't158' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2594 | *t271*t650/0.24e2_dp)*sx + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:72: + + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: + + 1051 | Clda)*sx + | ^ +Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:66: + + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & | ^ -Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:25: +note: 't152' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2483:76: + 1051 | Clda)*sx + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:60: - 2483 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:19: + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't151' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:34: - 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: + 1002 | t307 = 0.1e1_dp/t305*t150 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:54: - 2592 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:13: + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't150' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't131' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2464:42: + 1051 | Clda)*sx + | ^ +Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:48: - 2464 | *t110*t275 - t109*t112/t26 + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't146' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: + + 1051 | Clda)*sx + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:42: + + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:89: +note: 't143' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:36: - 2592 | - 0.4e1_dp*t679*t131 + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & | ^ -Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:84: +note: 't142' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: + 1051 | Clda)*sx + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:30: - 2592 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:78: + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't140' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1054:53: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2581:26: + 1054 | t498 = 2*t172*t40*t225 + t14*t236 - t14*t496 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:24: - 2581 | *t110*t275 - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:72: + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: + 1051 | Clda)*sx + | ^ +Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:19: - 2592 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:66: + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't138' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:13: - 2592 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:60: + 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: + 1051 | Clda)*sx + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:95: - 2592 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:54: + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2435:24: + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:89: - 2435 | t229 = t228*t12 + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't130' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:980:24: + + 980 | t229 = t13*t225 | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:83: + + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: + + 1051 | Clda)*sx + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:72: + + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: + + 1051 | Clda)*sx + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:66: + + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: + + 1051 | Clda)*sx + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:54: + + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't122' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:992:28: + + 992 | t272 = t268/t12/t13 + | ^ Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:48: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:48: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & | ^ note: 't12' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2572:25: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2572 | t615 = t614*t118 - | ^ + 1051 | Clda)*sx + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:43: + + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: + + 1083 | *t155)*Clda)*sx + | ^ Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:37: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & | ^ note: 't118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - - 2592 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:31: - - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2480:36: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2480 | - 0.4e1_dp*t337*t131 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:25: + 1051 | Clda)*sx + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:25: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2453:34: +note: 't115' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2453 | t270 = 0.1e1_dp/t115/t114 + 1051 | Clda)*sx | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:19: +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:19: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2453:34: +note: 't113' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2453 | t270 = 0.1e1_dp/t115/t114 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:13: + 1083 | *t155)*Clda)*sx + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:13: - 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2464:42: +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:958:23: - 2464 | *t110*t275 - t109*t112/t26 - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:97: + 958 | t183 = t12*t11 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:841:97: - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + 841 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2581:26: +note: 't11' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - 2581 | *t110*t275 - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:85: + 1051 | Clda)*sx + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:841:92: - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2581:26: + 841 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - 2581 | *t110*t275 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:79: - - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2457:30: - - 2457 | t280 = t102*t103*t108 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:73: - - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2458:23: - - 2458 | t285 = t106**2 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:67: - - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2459:25: - - 2459 | t287 = t105/t285 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:61: - - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2455:35: - - 2455 | t274 = t101*t104*t108*t110 - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:55: - - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2457:30: - - 2457 | t280 = t102*t103*t108 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:49: - - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2457:30: - - 2457 | t280 = t102*t103*t108 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:43: - - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2455:35: - - 2455 | t274 = t101*t104*t108*t110 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:37: - - 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: - - 2249 | /0.3e1_dp - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:95: - - 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2240:24: - - 2240 | t660 = t612*t98 - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:90: - - 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2218:34: - - 2218 | + t36*t37/0.4e1_dp - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:70: - - 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: - - 2249 | /0.3e1_dp - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:51: - - 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2229:29: - - 2229 | t629 = t600*t80*t129 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:46: - - 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2218:34: - - 2218 | + t36*t37/0.4e1_dp - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:41: - - 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2073:25: - - 2073 | t211 = t76*gamma - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:32: - - 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2185:24: - - 2185 | t502 = t74*t223 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:27: - - 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2149:58: - - 2149 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1945:94: - - 1945 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2068:25: - - 2068 | t201 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1945:55: - - 1945 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2078:32: - - 2078 | t223 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1945:26: - - 1945 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2183:23: - - 2183 | t498 = t64*t76 - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1944:70: - - 1944 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2077:22: - - 2077 | t220 = t6*t63 - | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1944:47: - - 1944 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 - | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2052:22: - - 2052 | t162 = t6*rho - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1943:80: - - 1943 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2053:25: - - 2053 | t164 = t57*gamma - | ^ -Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1943:53: - - 1943 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & - | ^ -note: 't57' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2181:23: - - 2181 | t494 = t55*t66 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1943:24: - - 1943 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2149:58: - - 2149 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1942:82: - - 1942 | t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2063:22: - - 2063 | t183 = t7*t45 - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1940:81: - - 1940 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2224:28: - - 2224 | t614 = t43*t612*t98 - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1940:35: - - 1940 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2060:28: - - 2060 | t180 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1939:93: - - 1939 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2176:31: - - 2176 | - t36*t37*gamma - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1939:24: - - 1939 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2176:31: - - 2176 | - t36*t37*gamma - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1938:85: - - 1938 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2049:28: - - 2049 | t155 = 0.1e1_dp/t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1938:62: - - 1938 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2065:25: - - 2065 | t188 = t30*gamma - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1937:28: - - 1937 | t297, t299, t3, t30, t301, t303, t306, t307, t308, t31, t310, t312 - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2078:32: - - 2078 | t223 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1936:93: - - 1936 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2179:23: - - 2179 | t490 = t28*t57 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1936:76: - - 1936 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2094:25: - - 2094 | t220*t225 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1936:53: - - 1936 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2109:42: - - 2109 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1936:12: - - 1936 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2059:49: - - 2059 | *t4*t145*t19 - t176*t152/0.8e1_dp - | ^ -Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1934:57: - - 1934 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & - | ^ -note: 't20' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2059:49: - - 2059 | *t4*t145*t19 - t176*t152/0.8e1_dp - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1934:42: - - 1934 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2130:56: - - 2130 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1933:25: - - 1933 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't139' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2130:56: - - 2130 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1933:19: - - 1933 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't138' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: - - 2249 | /0.3e1_dp - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1933:13: - - 1933 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: - - 2249 | /0.3e1_dp - | ^ -Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:95: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2243:25: - - 2243 | t677 = t132*t599 - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:89: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2109:42: - - 2109 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:83: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: - - 2249 | /0.3e1_dp - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:78: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't129' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: - - 2249 | /0.3e1_dp - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:72: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2235:26: - - 2235 | *t110*t273 - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:66: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: - - 2249 | /0.3e1_dp - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:60: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2239:25: - - 2239 | t658 = t121*t599 - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:54: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2080:24: - - 2080 | t225 = t224*t12 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:48: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2238:69: - - 2238 | t655 = (t601 + t614 - t627 - t629 - t630 + t633 + t653)*t121 - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:37: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2099:27: - - 2099 | t265 = t117*R*t257 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:31: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2130:56: - - 2130 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:25: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2101:45: - - 2101 | t269 = REAL(t100, KIND=dp)/t115/t114 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:19: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2101:45: - - 2101 | t269 = REAL(t100, KIND=dp)/t115/t114 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:13: - - 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2109:42: - - 2109 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:97: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2235:26: - - 2235 | *t110*t273 - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:85: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2235:26: - - 2235 | *t110*t273 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:79: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2104:30: - - 2104 | t278 = t102*t103*t108 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:73: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2105:23: - - 2105 | t283 = t106**2 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:67: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2106:25: - - 2106 | t285 = t105/t283 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:61: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2102:35: - - 2102 | t272 = t101*t104*t108*t110 - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:55: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2104:30: - - 2104 | t278 = t102*t103*t108 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:49: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2104:30: - - 2104 | t278 = t102*t103*t108 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:43: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2102:35: - - 2102 | t272 = t101*t104*t108*t110 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:37: - - 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:1203:87: - - 1203 | CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw - | ^ -Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:1097:82: - - 1097 | REAL(dp) :: tile_volume, vol_scfac - | ^ -note: 'vol_scfac' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_exchange_gga.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod xc_input_constants.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_exchange_gga.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1659:33: - - 1659 | t232 = 0.1e1_dp/t100/t99 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1520:22: - - 1520 | t96, t97, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1715:46: - - 1715 | (-t385 - t341 + t387)*t95*t237 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1520:17: - - 1520 | t96, t97, t99 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1795:88: - - 1795 | - t580 + t618)*t95*t237 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:95: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1795:88: - - 1795 | - t580 + t618)*t95*t237 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:90: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1715:46: - - 1715 | (-t385 - t341 + t387)*t95*t237 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:85: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1665:22: - - 1665 | t247 = t91**2 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:80: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1666:24: - - 1666 | t249 = t90/t247 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:75: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1641:23: - - 1641 | t191 = t190*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:70: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1661:23: - - 1661 | t234 = t86*t89 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:66: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1664:27: - - 1664 | t242 = t87*t88*t93 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:61: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1664:27: - - 1664 | t242 = t87*t88*t93 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:56: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1661:23: - - 1661 | t234 = t86*t89 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:51: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - - 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:41: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1799:24: - - 1799 | t638 = t578*t83 - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:36: - - 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1677:24: - - 1677 | t280 = t108*t66 - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1518:53: - - 1518 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - - 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1518:24: - - 1518 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1634:25: - - 1634 | t177 = t61*gamma - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1517:50: - - 1517 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + 1083 | *t155)*Clda)*sx | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1788:21: - - 1788 | t612 = t3*t6 - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1517:45: - - 1517 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1742:24: - - 1742 | t462 = t59*t189 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1517:29: - - 1517 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1629:25: - - 1629 | t167 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:90: - - 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1639:32: - - 1639 | t189 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:67: - - 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1795:88: - - 1795 | - t580 + t618)*t95*t237 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:62: - - 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1740:23: - - 1740 | t458 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:58: - - 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1638:22: - - 1638 | t186 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:35: - - 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1626:25: - - 1626 | t159 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1513:74: - - 1513 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1738:23: - - 1738 | t454 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1513:51: - - 1513 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1625:22: - - 1625 | t157 = t4*rho - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1513:46: - - 1513 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1706:58: - - 1706 | *t332 - 0.80e2_dp/0.729e3_dp*t79*t182*t336 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1513:24: - - 1513 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1615:25: - - 1615 | t133 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1511:70: - - 1511 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1639:32: - - 1639 | t189 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1511:53: - - 1511 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1736:23: - - 1736 | t450 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1511:18: - - 1511 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1657:25: - - 1657 | t186*t191 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1510:97: - - 1510 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1671:86: - - 1671 | t256)*t95*t237 - t94*t97/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1510:64: - - 1510 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1675:21: - - 1675 | t272 = R*t23 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1509:29: - - 1509 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1619:42: - - 1619 | t140 = 0.1e1_dp/(0.1e1_dp + t138) - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1508:93: - - 1508 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1613:22: - - 1613 | t128 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1507:71: - - 1507 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1809:66: - - 1809 | *t233*t623/0.24e2_dp)*sx - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:43: - - 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1690:76: - - 1690 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:37: - - 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1809:66: - - 1809 | *t233*t623/0.24e2_dp)*sx - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:31: - - 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1690:76: - - 1690 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:25: - - 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - - 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:19: - - 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - - 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:96: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1687:36: - - 1687 | - 0.4e1_dp*t299*t116 - | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:90: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't111' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1759:86: - - 1759 | t468 + t506)*t95*t237 - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:84: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - - 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:78: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - - 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:72: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1798:37: - - 1798 | /0.3e1_dp*t626)*t106 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:66: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1783:25: - - 1783 | t581 = t580*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:54: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - - 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:48: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1764:25: - - 1764 | t525 = t143*t101 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:42: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1659:33: - - 1659 | t232 = 0.1e1_dp/t100/t99 - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:36: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1671:86: - - 1671 | t256)*t95*t237 - t94*t97/t29 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:30: - - 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1321:43: - - 1321 | t231 = REAL(t85, KIND=dp)/t100/t99 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:51: - - 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1377:50: - - 1377 | t94*(-t317 - t340 + t358)*t95*t235 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:46: - - 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1459:88: - - 1459 | - t587 + t600)*t95*t235 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:36: - - 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1459:88: - - 1459 | - t587 + t600)*t95*t235 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:31: - - 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1377:50: - - 1377 | t94*(-t317 - t340 + t358)*t95*t235 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:26: - - 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1326:22: - - 1326 | t245 = t91**2 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:21: - - 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1327:24: - - 1327 | t247 = t90/t245 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:16: - - 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1300:23: - - 1300 | t187 = t186*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:11: - - 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1322:23: - - 1322 | t232 = t86*t89 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:97: - - 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1325:27: - - 1325 | t240 = t87*t88*t93 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:92: - - 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1325:27: - - 1325 | t240 = t87*t88*t93 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:87: - - 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1322:23: - - 1322 | t232 = t86*t89 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:82: - - 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - - 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:72: - - 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1463:24: - - 1463 | t639 = t585*t83 - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:67: - - 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - - 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:26: - - 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1387:35: - - 1387 | t414 = ndrho*t141*t65*t114 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1180:70: - - 1180 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1293:25: - - 1293 | t173 = t61*gamma - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1180:18: - - 1180 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 - | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1444:35: - - 1444 | t574 = t3*t6*t572/0.9e1_dp - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1179:73: - - 1179 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1407:24: - - 1407 | t471 = t59*t185 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1179:63: - - 1179 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1288:25: - - 1288 | t163 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1178:27: - - 1178 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1298:32: - - 1298 | t185 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1178:22: - - 1178 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1459:88: - - 1459 | - t587 + t600)*t95*t235 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1178:17: - - 1178 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1405:23: - - 1405 | t467 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1177:64: - - 1177 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1297:22: - - 1297 | t182 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1177:53: - - 1177 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & - | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1285:25: - - 1285 | t155 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1176:18: - - 1176 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1403:23: - - 1403 | t463 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1175:73: - - 1175 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1284:22: - - 1284 | t153 = t4*rho - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1175:68: - - 1175 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1367:58: - - 1367 | *t331 - 0.80e2_dp/0.729e3_dp*t79*t178*t335 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1175:34: - - 1175 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1275:25: - - 1275 | t134 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1173:70: - - 1173 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1298:32: - - 1298 | t185 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1173:53: - - 1173 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1401:23: - - 1401 | t459 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1173:18: - - 1173 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1314:25: - - 1314 | t182*t187 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1172:91: - - 1172 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1330:86: - - 1330 | t221)*t95*t235 - t94*t97/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1172:76: - - 1172 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1448:28: - - 1448 | t587 = t23*t585*t83 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1171:30: - - 1171 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1279:42: - - 1279 | t141 = 0.1e1_dp/(0.1e1_dp + t139) - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1170:63: - - 1170 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1273:22: - - 1273 | t129 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1169:65: - - 1169 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1351:56: - - 1351 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1168:31: - - 1168 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1351:56: - - 1351 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1168:25: - - 1168 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - - 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1168:19: - - 1168 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't120' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - - 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1168:13: - - 1168 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1466:70: - - 1466 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:96: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - - 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:90: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - - 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:84: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1424:86: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:841:86: - 1424 | t477 + t490)*t95*t235 + 841 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:78: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - - 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:72: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1462:69: - - 1462 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:66: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1462:69: - - 1462 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:54: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1319:27: - - 1319 | t227 = t102*R*t219 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:48: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1351:56: - - 1351 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:42: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1321:43: - - 1321 | t231 = REAL(t85, KIND=dp)/t100/t99 - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:36: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1330:86: - - 1330 | t221)*t95*t235 - t94*t97/t29 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:30: - - 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_tpss.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_pbe.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod xc_input_constants.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F xc_pbe.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_thomas_fermi.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_tpss.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_tpss.F xc_tpss.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_tpss.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:952:23: - - 952 | t204 = t203*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:835:31: - - 835 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - - 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:835:22: - - 835 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:934:24: - - 934 | t160 = t85*t103 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:835:17: - - 835 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:945:25: - - 945 | t190 = t81*gamma - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:96: - - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1019:24: - - 1019 | t399 = t79*t202 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:91: - - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:940:25: - - 940 | t180 = t71*gamma - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:66: - - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:950:32: - - 950 | t202 = 0.1e1_dp/t70/t35 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:685:60: - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't70' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1017:23: + 685 | + tr*r(2) + tzz*z(0, 1)**2 + tz*z(0, 2) + | ^ +Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:614:63: - 1017 | t395 = t69*t81 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:56: + 614 | tzz, tzzz + | ^ +note: 'tzz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:679:56: - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + 679 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:949:22: - - 949 | t199 = t3*t68 - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:51: - - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:925:25: - - 925 | t142 = t62*gamma - | ^ -Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:31: - - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't62' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1015:23: - - 1015 | t391 = t60*t71 - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:26: - - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't60' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1036:32: - - 1036 | t42*t43/0.4e1_dp - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:21: - - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1000:58: - - 1000 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:17: - - 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1008:22: - - 1008 | t376 = t5*t36 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:833:68: - - 833 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:969:22: - - 969 | t245 = t49**2 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:833:64: - - 833 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:932:28: - - 932 | t158 = 0.1e1_dp/t47 - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:833:30: - - 833 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1011:31: - - 1011 | - t42*t43*gamma - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:832:94: - - 832 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:927:23: - - 927 | t154 = t42*t23 - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:832:89: +Warning: 'trz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:89: - 832 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:922:28: - - 922 | t134 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:832:72: - - 832 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:987:51: - - 987 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:832:49: - - 832 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:937:25: - - 937 | t167 = t36*gamma - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:831:23: - - 831 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:950:32: - - 950 | t202 = 0.1e1_dp/t70/t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:831:12: - - 831 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1013:23: - - 1013 | t387 = t34*t62 - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:830:90: - - 830 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^ -note: 't34' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:921:40: - - 921 | t131 = 0.1e1_dp/t4/t33*gamma*t9 - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:830:79: - - 830 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:923:22: - - 923 | t137 = t3*t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:830:62: - - 830 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - - 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:830:17: - - 830 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:931:53: - - 931 | t42*t23*t124*t16 - t154*t131/0.8e1_dp - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:829:47: - - 829 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1036:32: - - 1036 | t42*t43/0.4e1_dp - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:829:24: - - 829 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:970:29: - - 970 | t248 = t21*t106/t245 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:828:51: - - 828 | t2, t20, t202, t203, t204, t207, t208, t21, t210, t211, t22, t23, t237, t24, t240, t245, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:967:21: - - 967 | *t204 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:827:65: +note: 'trz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:682:65: - 827 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & + 682 | + tr*r(2) + tzz*z(1, 0)*z(0, 1) + tz*z(1, 1) | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:935:22: - - 935 | t162 = t4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:827:24: - - 827 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:931:53: - - 931 | t42*t23*t124*t16 - t154*t131/0.8e1_dp - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:826:78: - - 826 | t124, t131, t134, t137, t138, t142, t143, t154, t157, t158, t159, t16, t160, t162, t165, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - - 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:97: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1051:72: - - 1051 | /0.2e1_dp))*sx - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:91: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1051:72: - - 1051 | /0.2e1_dp))*sx - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:85: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1051:72: +Warning: 'trr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:72: - 1051 | /0.2e1_dp))*sx + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:79: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't111' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: +note: 'trr' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:717:62: - 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:73: + 717 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) + | ^ +Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:99: - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:971:25: + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:695:58: - 971 | t249 = t109*t102 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:67: + 695 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:67: - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:972:29: - - 972 | t255 = t21*t106*t108 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:61: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - - 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:55: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't107' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1051:72: - - 1051 | /0.2e1_dp))*sx - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:49: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1045:53: - - 1045 | t487 = t459*t160 + t472*t103 - t86*t211*t484 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:37: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - - 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:31: - - 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:591:17: - - 591 | t96, t97, yval - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:591:12: - - 591 | t96, t97, yval - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: - - 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:96: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:91: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:712:27: - - 712 | t217 = t21*t91*t93 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:86: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: - - 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:81: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:76: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:692:23: - - 692 | t166 = t165*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:71: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:708:53: - - 708 | t202 = -t121*t122 + t170*t88 - t71*t173*t199 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:62: +note: 'tr' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:717:62: - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + 717 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: - - 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:57: +Warning: 'tzzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:614:69: - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: + 614 | tzz, tzzz + | ^ +note: 'tzzz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:703:74: - 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + 703 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:27: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:724:24: - - 724 | t249 = t120*t70 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:22: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't70' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:685:25: - - 685 | t152 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:12: - - 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:761:24: - - 761 | t361 = t64*t164 - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:93: - - 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:680:25: - - 680 | t142 = t56*gamma - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:68: - - 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't56' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:690:32: - - 690 | t164 = 0.1e1_dp/t55/t37 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:63: - - 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:759:23: - - 759 | t357 = t54*t66 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:58: - - 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:689:22: - - 689 | t161 = t3*t53 - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:53: - - 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't53' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:750:22: - - 750 | t340 = t5*t38 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:38: - - 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:677:25: - - 677 | t134 = t47*gamma - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:23: - - 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:757:23: - - 757 | t353 = t45*t56 - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:12: +Warning: 'trzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:95: - 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:738:58: + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trzz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:695:58: - 738 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 + 695 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:588:87: - - 588 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & - | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:723:22: - - 723 | t246 = t4*t38 - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:588:42: - - 588 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:587:70: - - 587 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:690:32: - - 690 | t164 = 0.1e1_dp/t55/t37 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:587:59: - - 587 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:755:23: - - 755 | t349 = t36*t47 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:587:24: - - 587 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:687:26: - - 687 | t157 = t3*t44*t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:586:75: - - 586 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_pade.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod bibliography.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:749:46: - - 749 | /0.2e1_dp))*sx - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_pade.F xc_pade.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:586:34: +Warning: 'trrz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:84: - 586 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & - | ^ -note: 't34' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:703:74: - 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + 703 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:585:85: - - 585 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:709:22: - - 709 | t207 = t28**2 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:585:64: - - 585 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:672:42: - - 672 | t120 = 0.1e1_dp/(0.1e1_dp + t118) - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:585:18: - - 585 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:584:24: - - 584 | t208, t209, t21, t217, t218, t22, t220, t227, t229, t23, t234, t246, t249, t252, t255, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:707:21: - - 707 | *t166 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:583:65: - - 583 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:666:22: - - 666 | t108 = t4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:583:42: - - 583 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:581:43: - - 581 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:2130:30: - - 2130 | t998 = mu**2 - | ^ -Warning: 'mu' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:581:37: - - 581 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - - 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1520:25: - - 1520 | kf_brhobrhob, mu - | ^ -note: 'mu' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1731:51: - - 1731 | Fx_b = 0.1e1_dp + kappa - kappa/t153 - | ^ -Warning: 'kappa' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:581:31: - - 581 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1519:42: - - 1519 | k_s1rhob, k_srhoa, k_srhob, kappa, kf_a, kf_arhoa, kf_arhoarhoa, kf_b, kf_brhob, & - | ^ -note: 'kappa' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1688:31: - - 1688 | t101 = beta*t100 - | ^ -Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1508:24: - - 1508 | Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & - | ^ -note: 'beta' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xpbe_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_pade.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xpbe_hole_t_c_lr.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbecke88_long_range.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1174:75: - - 1174 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:841:24: - - 841 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 'p' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:81: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:66: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:61: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:56: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:51: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1013:32: - - 1013 | t352 = 0.1e1_dp/t85/t33 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:46: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:41: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:36: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:31: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1024:23: - - 1024 | t415 = t79*t21 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:22: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1059:38: - - 1059 | t531 = F1*t235*t34 - t77*t529 - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:17: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:12: - - 852 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1027:23: - - 1027 | t461 = t74*t21 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:96: - - 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:91: - - 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:87: - - 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:82: - - 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:67: - - 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:51: - - 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't58' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1001:22: - - 1001 | t305 = t56**2 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:40: - - 851 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't56' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:82: - - 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't52' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1000:28: - - 1000 | t299 = 0.1e1_dp/t51 - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:71: - - 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:971:47: - - 971 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:66: - - 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:17: - - 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:12: - - 850 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:55: - - 849 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:989:27: - - 989 | *t37*t248 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:28: - - 849 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:17: - - 849 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:12: - - 849 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:78: - - 848 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:61: - - 848 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^ -note: 't34' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:995:45: - - 995 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:32: - - 848 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:969:59: - - 969 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:51: - - 847 | t29, t292, t297, t299, t3, t305, t307, t31, t317, t320, t324 - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:984:24: - - 984 | t242 = t27*t225 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:59: - - 846 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1021:23: - - 1021 | t406 = t25*t31 - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:42: - - 846 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:978:54: - - 978 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:845:75: - - 845 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1027:23: - - 1027 | t461 = t74*t21 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:845:46: - - 845 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:981:24: - - 981 | t232 = t19*t225 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:72: - - 844 | t172, t173, t174, t178, t179, t180, t183, t184, t185, t188, t19, t190, t191, t192, t193, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1007:22: - - 1007 | t330 = g4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:89: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:78: +Warning: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F:613:78: - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ -note: 't158' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:72: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:66: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't152' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:60: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:34: - - 1002 | t307 = 0.1e1_dp/t305*t150 - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:54: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't150' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:48: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't146' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:42: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't143' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:36: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't142' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:30: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1054:53: - - 1054 | t498 = 2*t172*t40*t225 + t14*t236 - t14*t496 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:24: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:19: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't138' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:13: - - 843 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:95: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:89: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:980:24: - - 980 | t229 = t13*t225 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:83: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:72: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:66: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:54: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:992:28: - - 992 | t272 = t268/t12/t13 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:48: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:43: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:37: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:25: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:19: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:13: - - 842 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:958:23: - - 958 | t183 = t12*t11 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:841:97: - - 841 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1051:34: - - 1051 | Clda)*sx - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:841:92: +note: 'trrr' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_pbe.F90 +/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:960:92: - 841 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + 960 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac) | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:1083:50: - - 1083 | *t155)*Clda)*sx - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:841:86: +Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:770:86: - 841 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + 770 | pres_error, tol, vol_scfac | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xlda_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathlib.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbecke88_long_range.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xlda_hole_t_c_lr.F90 +note: 'vol_scfac' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F:646:49: 646 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 @@ -12738,550 +9657,2572 @@ 474 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & | ^ note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbecke88.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88.F xc_xbecke88.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_tpss.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_optx.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_optx.F xc_optx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbecke88.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_optx.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1108:55: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:245:72: + 1108 | t1385 = 0.1e1_dp/t1380*t469*mu*t101*s + | ^ +Warning: 'mu' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:431:24: - 245 | t82, t86, t9, t91, t95 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 431 | kfrhorhorho, mu, my_norm_drho, my_rho, p_1, p_2, rs, rs2rho, rsrho, rsrhorho, & + | ^ +note: 'mu' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1109:34: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:95: + 1109 | t1386 = kappa**2 + | ^ +Warning: 'kappa' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:430:66: - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 430 | k_s1rhorho, k_s2rho, k_srho, k_srho1rho, k_srhorho, kappa, kf, kf2rho, kfrho, kfrhorho, & + | ^ +note: 'kappa' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:956:34: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:91: + 956 | t879 = beta/t877 + | ^ +Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:423:25: - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 423 | Arhorhorho, beta, beta_1_1, beta_2_1, beta_3_1, beta_4_1, e_c_u_0, e_c_u_01rho, & + | ^ +note: 'beta' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_cs1.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_cs1.F xc_cs1.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_b97.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod xc_input_constants.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_b97.F xc_b97.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_cs1.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbecke_roussel.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_b97.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_perdew_wang.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod xc_input_constants.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbecke_roussel.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_lyp_adiabatic.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_perdew_wang.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbecke88_long_range.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_lyp_adiabatic.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:604:60: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:86: + 604 | + tr*r(2) + tzz*z(0, 1)**2 + tz*z(0, 2) + | ^ +Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:493:63: - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't67' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 493 | tzz, tzzz + | ^ +note: 'tzz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:600:56: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:71: + 600 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) + | ^ +Warning: 'trz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:89: - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:602:65: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:67: + 602 | + tr*r(2) + tzz*z(1, 0)*z(0, 1) + tz*z(1, 1) + | ^ +Warning: 'trr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:72: - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trr' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:635:53: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:243:77: + 635 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) + | ^ +Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:99: - 243 | t24, t25, t3, t32, t33, t36, t4, t41, & - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:613:53: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:243:68: + 613 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:67: - 243 | t24, t25, t3, t32, t33, t36, t4, t41, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tr' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:635:53: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:242:86: + 635 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) + | ^ +Warning: 'tzzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:493:69: - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 493 | tzz, tzzz + | ^ +note: 'tzzz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:621:65: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:242:77: + 621 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) + | ^ +Warning: 'trzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:95: - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trzz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:613:53: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:242:72: + 613 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'trrz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:84: - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrz' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:621:65: - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:242:62: + 621 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) + | ^ +Warning: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:78: - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:960:92: + 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrr' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - 960 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac) - | ^ -Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:770:86: + 2592 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2297:36: - 770 | pres_error, tol, vol_scfac - | ^ -note: 'vol_scfac' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:659:67: + 2297 | t9, t91, t94, t97, t98, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2585:24: - 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ + 2585 | t662 = t612*t98 + | ^ Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:288:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2297:31: - 288 | REAL(kind=dp) :: t98, t99, xx - | ^ + 2297 | t9, t91, t94, t97, t98, t99 + | ^ note: 't98' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:493:94: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2565:34: - 493 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:67: + 2565 | + t36*t37/0.4e1_dp + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2297:11: - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:785:32: + 2297 | t9, t91, t94, t97, t98, t99 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2470:24: - 785 | t98*t1400 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:62: + 2470 | t318 = t123*t81 + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:81: - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2567:29: + + 2567 | t600 = t598*t80*t184 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:76: + + 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2565:34: + + 2565 | + t36*t37/0.4e1_dp + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:71: + + 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2428:25: + + 2428 | t215 = t76*gamma + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:62: + + 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:508:72: +note: 't76' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2535:24: - 508 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:51: + 2535 | t504 = t74*t227 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:57: - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_lyp_adiabatic.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:741:80: + 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2503:58: - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:46: + 2503 | *t383 - 0.80e2_dp/0.729e3_dp*t94*t220*t387 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2296:37: - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:505:55: + 2296 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2423:25: - 505 | t87 + 0.8000000000e1_dp*t393*t397 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:35: + 2423 | t205 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2295:58: - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + 2295 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2433:32: + + 2433 | t227 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2295:35: + + 2295 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:560:66: +note: 't65' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2533:23: - 560 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:18: + 2533 | t500 = t64*t76 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2295:18: - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + 2295 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:607:39: +note: 't64' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2432:22: - 607 | t669 = 0.1e1_dp/t85/t667 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:95: + 2432 | t224 = t6*t63 + | ^ +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2294:96: - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:606:28: + 2294 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2405:22: - 606 | t667 = t84**2 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:78: + 2405 | t161 = t6*rho + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2294:51: - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:391:31: + 2294 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2406:25: - 391 | t140 = t8*my_rho - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:67: + 2406 | t163 = t57*gamma + | ^ +Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2294:12: - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:625:67: + 2294 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't57' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2531:23: - 625 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:51: + 2531 | t496 = t55*t66 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2293:81: - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:447:30: + 2293 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2503:58: - 447 | t255 = t77*t254 - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:46: + 2503 | *t383 - 0.80e2_dp/0.729e3_dp*t94*t220*t387 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2293:58: - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:794:102: + 2293 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2418:22: - 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:35: + 2418 | t187 = t7*t45 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2291:69: - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + 2291 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2468:21: + + 2468 | t310 = R*t43 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2291:35: + + 2291 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:602:28: +note: 't43' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2413:28: - 602 | t639 = t75**2 + 2413 | t179 = 0.1e1_dp/t41 | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:30: +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2290:87: - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:508:72: + 2290 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2526:31: - 508 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:90: + 2526 | - t36*t37*gamma + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2290:30: - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't72' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:674:58: + 2290 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2526:31: - 674 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:79: + 2526 | - t36*t37*gamma + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2289:97: - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:352:30: + 2289 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2402:28: - 352 | t69 = t7*my_rho - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:74: + 2402 | t154 = 0.1e1_dp/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2289:74: - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + 2289 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:614:63: - - 614 | /t69*t669) - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:70: - - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:726:76: +note: 't35' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2420:25: - 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:59: + 2420 | t192 = t30*gamma + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2288:39: - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:785:32: + 2288 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2433:32: - 785 | t98*t1400 + 2433 | t227 = 0.1e1_dp/t65/t29 | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:18: +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2288:18: - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + 2288 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:404:74: - - 404 | 0.2222222224e0_dp*t24*t98*t155)*sx - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:51: +note: 't29' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2529:23: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't60' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:741:80: + 2529 | t492 = t28*t57 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2287:80: - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + 2287 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:46: +note: 't28' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2451:25: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:730:31: + 2451 | t224*t229 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2287:51: - 730 | t1153 = t27*t590 - | ^ -Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:42: + 2287 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2464:42: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 2464 | *t110*t275 - t109*t112/t26 | ^ -note: 't590' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:726:76: +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2287:34: - 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:36: + 2287 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2412:49: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: + 2412 | *t4*t144*t19 - t175*t151/0.8e1_dp + | ^ +Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2285:75: - 776 | *t36*t38*t1396 + 2285 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & + | ^ +note: 't20' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2412:49: + + 2412 | *t4*t144*t19 - t175*t151/0.8e1_dp + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2285:48: + + 2285 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2594:66: + + 2594 | *t271*t650/0.24e2_dp)*sx + | ^ +Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:37: + + 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ -Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:31: +note: 't138' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2483:76: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 2483 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:31: + + 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ -note: 't586' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:760:63: +note: 't136' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2594:66: - 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't580' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:25: + 2594 | *t271*t650/0.24e2_dp)*sx + | ^ +Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:25: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ -note: 't580' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: +note: 't134' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2483:76: - 776 | *t36*t38*t1396 - | ^ -Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:19: + 2483 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:19: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ -note: 't576' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: +note: 't133' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:13: + 2592 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2284:13: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + 2284 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ -note: 't575' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:96: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't574' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:760:63: +note: 't131' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2464:42: - 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:90: + 2464 | *t110*t275 - t109*t112/t26 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:89: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't573' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't572' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:84: + 2592 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:84: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ -note: 't572' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: +note: 't128' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't571' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:78: + 2592 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:78: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ -note: 't571' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: +note: 't126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2581:26: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:72: + 2581 | *t110*t275 + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:72: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ -note: 't570' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: +note: 't125' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - 776 | *t36*t38*t1396 - | ^ -Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:66: + 2592 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:66: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ -note: 't566' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: +note: 't124' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - 776 | *t36*t38*t1396 - | ^ -Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:60: + 2592 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:60: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ -note: 't562' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:653:54: +note: 't123' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - 653 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:54: + 2592 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:54: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: - - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:49: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't539' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: +note: 't121' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2435:24: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:43: + 2435 | t229 = t228*t12 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:48: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't537' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2572:25: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't536' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:37: + 2572 | t615 = t614*t118 + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:37: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ -note: 't536' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:785:32: +note: 't118' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2592:36: - 785 | t98*t1400 - | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:19: + 2592 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:31: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't530' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:818:44: + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2480:36: - 818 | *sx - | ^ -Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:13: + 2480 | - 0.4e1_dp*t337*t131 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:25: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't529' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:794:102: + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2453:34: - 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + 2453 | t270 = 0.1e1_dp/t115/t114 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:19: + + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2453:34: + + 2453 | t270 = 0.1e1_dp/t115/t114 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2283:13: + + 2283 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2464:42: + + 2464 | *t110*t275 - t109*t112/t26 + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:97: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2581:26: + + 2581 | *t110*t275 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:85: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2581:26: + + 2581 | *t110*t275 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:79: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2457:30: + + 2457 | t280 = t102*t103*t108 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:73: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2458:23: + + 2458 | t285 = t106**2 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:67: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2459:25: + + 2459 | t287 = t105/t285 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:61: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2455:35: + + 2455 | t274 = t101*t104*t108*t110 + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:55: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2457:30: + + 2457 | t280 = t102*t103*t108 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:49: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2457:30: + + 2457 | t280 = t102*t103*t108 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:43: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2455:35: + + 2455 | t274 = t101*t104*t108*t110 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2282:37: + + 2282 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: + + 2249 | /0.3e1_dp + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:95: + + 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2240:24: + + 2240 | t660 = t612*t98 + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:90: + + 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2218:34: + + 2218 | + t36*t37/0.4e1_dp + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:70: + + 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: + + 2249 | /0.3e1_dp + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:51: + + 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2229:29: + + 2229 | t629 = t600*t80*t129 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:46: + + 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2218:34: + + 2218 | + t36*t37/0.4e1_dp + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:41: + + 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2073:25: + + 2073 | t211 = t76*gamma + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:32: + + 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2185:24: + + 2185 | t502 = t74*t223 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1946:27: + + 1946 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2149:58: + + 2149 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1945:94: + + 1945 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2068:25: + + 2068 | t201 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1945:55: + + 1945 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2078:32: + + 2078 | t223 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1945:26: + + 1945 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2183:23: + + 2183 | t498 = t64*t76 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1944:70: + + 1944 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2077:22: + + 2077 | t220 = t6*t63 + | ^ +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1944:47: + + 1944 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2052:22: + + 2052 | t162 = t6*rho + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1943:80: + + 1943 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2053:25: + + 2053 | t164 = t57*gamma + | ^ +Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1943:53: + + 1943 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't57' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2181:23: + + 2181 | t494 = t55*t66 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1943:24: + + 1943 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2149:58: + + 2149 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1942:82: + + 1942 | t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2063:22: + + 2063 | t183 = t7*t45 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1940:81: + + 1940 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2224:28: + + 2224 | t614 = t43*t612*t98 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1940:35: + + 1940 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2060:28: + + 2060 | t180 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1939:93: + + 1939 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2176:31: + + 2176 | - t36*t37*gamma + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1939:24: + + 1939 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2176:31: + + 2176 | - t36*t37*gamma + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1938:85: + + 1938 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2049:28: + + 2049 | t155 = 0.1e1_dp/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1938:62: + + 1938 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2065:25: + + 2065 | t188 = t30*gamma + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1937:28: + + 1937 | t297, t299, t3, t30, t301, t303, t306, t307, t308, t31, t310, t312 + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2078:32: + + 2078 | t223 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1936:93: + + 1936 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2179:23: + + 2179 | t490 = t28*t57 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1936:76: + + 1936 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2094:25: + + 2094 | t220*t225 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1936:53: + + 1936 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2109:42: + + 2109 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1936:12: + + 1936 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2059:49: + + 2059 | *t4*t145*t19 - t176*t152/0.8e1_dp + | ^ +Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1934:57: + + 1934 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & + | ^ +note: 't20' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2059:49: + + 2059 | *t4*t145*t19 - t176*t152/0.8e1_dp + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1934:42: + + 1934 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2130:56: + + 2130 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1933:25: + + 1933 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't139' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2130:56: + + 2130 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1933:19: + + 1933 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't138' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: + + 2249 | /0.3e1_dp + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1933:13: + + 1933 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: + + 2249 | /0.3e1_dp + | ^ +Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:95: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't134' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2243:25: + + 2243 | t677 = t132*t599 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:89: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't132' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2109:42: + + 2109 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:83: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: + + 2249 | /0.3e1_dp + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:78: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't129' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: + + 2249 | /0.3e1_dp + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:72: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2235:26: + + 2235 | *t110*t273 + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:66: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2249:25: + + 2249 | /0.3e1_dp + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:60: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2239:25: + + 2239 | t658 = t121*t599 + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:54: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2080:24: + + 2080 | t225 = t224*t12 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:48: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2238:69: + + 2238 | t655 = (t601 + t614 - t627 - t629 - t630 + t633 + t653)*t121 + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:37: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2099:27: + + 2099 | t265 = t117*R*t257 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:31: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2130:56: + + 2130 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:25: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2101:45: + + 2101 | t269 = REAL(t100, KIND=dp)/t115/t114 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:19: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2101:45: + + 2101 | t269 = REAL(t100, KIND=dp)/t115/t114 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1932:13: + + 1932 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2109:42: + + 2109 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:97: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2235:26: + + 2235 | *t110*t273 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:85: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2235:26: + + 2235 | *t110*t273 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:79: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2104:30: + + 2104 | t278 = t102*t103*t108 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:73: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2105:23: + + 2105 | t283 = t106**2 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:67: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2106:25: + + 2106 | t285 = t105/t283 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:61: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2102:35: + + 2102 | t272 = t101*t104*t108*t110 + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:55: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2104:30: + + 2104 | t278 = t102*t103*t108 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:49: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2104:30: + + 2104 | t278 = t102*t103*t108 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:43: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:2102:35: + + 2102 | t272 = t101*t104*t108*t110 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1931:37: + + 1931 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't101' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbecke88_long_range.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + + 300 | - t10*t14*t107) + t34*t189 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:94: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:90: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + + 306 | t51*t14*my_ndrho*t63) + | ^ +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:85: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:281:37: + + 281 | t117 = 0.1e1_dp/t36/t6 + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:80: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:76: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:71: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't58' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + + 300 | - t10*t14*t107) + t34*t189 + | ^ +Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:61: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't52' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + + 306 | t51*t14*my_ndrho*t63) + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:56: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + + 306 | t51*t14*my_ndrho*t63) + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:51: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:46: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:41: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:36: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:31: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:275:28: + + 275 | t78 = t77*t42 + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:26: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:21: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:16: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:282:27: + + 282 | t122 = t9*t4 + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:11: + + 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:94: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't38' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + + 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:89: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:281:37: + + 281 | t117 = 0.1e1_dp/t36/t6 + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:84: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + + 306 | t51*t14*my_ndrho*t63) + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:79: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't34' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:277:39: + + 277 | t94 = 0.1e1_dp/t3/my_rho + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:74: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + + 300 | - t10*t14*t107) + t34*t189 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:70: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + + 300 | - t10*t14*t107) + t34*t189 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:65: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + + 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:60: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + + 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) + | ^ +Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:55: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't20' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + + 300 | - t10*t14*t107) + t34*t189 + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:50: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't2' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:40: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + + 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:23: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:276:31: + + 276 | t87 = t16*my_rho + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:18: + + 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + + 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:97: + + 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + + 306 | t51*t14*my_ndrho*t63) + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:92: + + 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + + 306 | t51*t14*my_ndrho*t63) + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:87: + + 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + + 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:59: + + 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + + 300 | - t10*t14*t107) + t34*t189 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:48: + + 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + + 306 | t51*t14*my_ndrho*t63) + | ^ +Warning: 'my_ndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:35: + + 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & + | ^ +note: 'my_ndrho' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_pade.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_pade.F xc_pade.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:653:132: + + 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:91: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:653:132: + + 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:86: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:640:132: + + 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:81: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:76: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:71: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:589:37: + + 589 | t216 = 0.1e1_dp/t77/t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:66: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:594:59: + + 594 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:62: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:57: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:566:38: + + 566 | t153 = 0.1e1_dp/t21/t84 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:47: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:628:108: + + 628 | - t300 - 0.1111111111e0_dp*t115*t316) + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:37: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:603:42: + + 603 | t280 = t102*t169*t78*lambda + | ^ +Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:32: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't78' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:589:37: + + 589 | t216 = 0.1e1_dp/t77/t9 + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:27: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:602:31: + + 602 | t276 = d*t76*t10 + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:22: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:590:71: + + 590 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:17: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:653:132: + + 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) + | ^ +Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:12: + + 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 + | ^ +note: 't73' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:619:95: + + 619 | - t151 + t157 - t18*t24*t202) + t73*t307 + | ^ +Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:90: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't67' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:636:61: + + 636 | *t355) + REAL(2*t65*my_ndrhoa, dp) + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:85: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:644:61: + + 644 | *t387) + REAL(2*t63*my_ndrhob, dp) + | ^ +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:80: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:558:41: + + 558 | t135 = 0.1e1_dp/t6/t19*t78 + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:70: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:624:67: + + 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 + | ^ +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:66: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't58' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:61: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:636:61: + + 636 | *t355) + REAL(2*t65*my_ndrhoa, dp) + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:56: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:619:95: + + 619 | - t151 + t157 - t18*t24*t202) + t73*t307 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:51: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:587:132: + + 587 | *my_rhoa + t196)*t48 + t200*t47 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:47: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:624:67: + + 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:42: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:624:67: + + 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:37: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:636:61: + + 636 | *t355) + REAL(2*t65*my_ndrhoa, dp) + | ^ +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:32: + + 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:460:73: + + 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:650:103: + + 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:460:68: + + 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:624:67: + + 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:460:12: + + 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:642:34: + + 642 | t387 = t3*my_ndrhob + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:459:69: + + 459 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:587:132: + + 587 | *my_rhoa + t196)*t48 + t200*t47 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:459:41: + + 459 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:644:61: + + 644 | *t387) + REAL(2*t63*my_ndrhob, dp) + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:458:76: + + 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:458:65: + + 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & + | ^ +note: 't24' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:640:132: + + 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:458:48: + + 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:590:71: + + 590 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:457:92: + + 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:581:46: + + 581 | t194 = 0.1333333333e1_dp*t2*t42 + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:457:75: + + 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & + | ^ +note: 't2' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:650:103: + + 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:457:53: + + 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:457:24: + + 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:596:66: + + 596 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:456:88: + + 456 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:568:29: + + 568 | t162 = t15*t76 + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:456:42: + + 456 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:49: + + 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:628:108: + + 628 | - t300 - 0.1111111111e0_dp*t115*t316) + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:43: + + 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:640:132: + + 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:37: + + 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:640:132: + + 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:31: + + 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:653:132: + + 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:25: + + 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + + 616 | t300 - 0.1111111111e0_dp*t115*t188) + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:13: + + 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:619:95: + + 619 | - t151 + t157 - t18*t24*t202) + t73*t307 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:454:84: + + 454 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:557:43: + + 557 | t132 = 0.40e1_dp*t1*t129*t10 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:454:79: + + 454 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbeef.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F xc_xbeef.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_pade.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xwpbe.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod base_hooks.mod mathconstants.mod kinds.mod bibliography.mod mathlib.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F xc_xwpbe.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:659:67: + + 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:288:26: + + 288 | REAL(kind=dp) :: t98, t99, xx + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:493:94: + + 493 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:67: + + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:785:32: + + 785 | t98*t1400 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:62: + + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:508:72: + + 508 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbeef.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:51: + + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:741:80: + + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:46: + + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:505:55: + + 505 | t87 + 0.8000000000e1_dp*t393*t397 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:35: + + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:560:66: + + 560 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:287:18: + + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:607:39: + + 607 | t669 = 0.1e1_dp/t85/t667 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:95: + + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:606:28: + + 606 | t667 = t84**2 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:78: + + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:391:31: + + 391 | t140 = t8*my_rho + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:67: + + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:625:67: + + 625 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:51: + + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't79' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:447:30: + + 447 | t255 = t77*t254 + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:46: + + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:794:102: + + 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:35: + + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:602:28: + + 602 | t639 = t75**2 + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:286:30: + + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:508:72: + + 508 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:90: + + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't72' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:674:58: + + 674 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:79: + + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:352:30: + + 352 | t69 = t7*my_rho + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:74: + + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:614:63: + + 614 | /t69*t669) + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:70: + + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:726:76: + + 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:59: + + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:785:32: + + 785 | t98*t1400 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:285:18: + + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:404:74: + + 404 | 0.2222222224e0_dp*t24*t98*t155)*sx + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:51: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't60' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:741:80: + + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:46: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:730:31: + + 730 | t1153 = t27*t590 + | ^ +Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:42: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't590' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:726:76: + + 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:36: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:31: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't586' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't580' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:25: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't580' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:19: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't576' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:284:13: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't575' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:96: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't574' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:90: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't573' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't572' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:84: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't572' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't571' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:78: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't571' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:72: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't570' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:66: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't566' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:60: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't562' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:653:54: + + 653 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:54: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:49: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't539' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:43: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't537' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't536' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:37: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't536' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:785:32: + + 785 | t98*t1400 + | ^ +Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:19: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't530' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:818:44: + + 818 | *sx + | ^ +Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:283:13: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't529' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:794:102: + + 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:282:93: @@ -13654,7 +12595,6 @@ 776 | *t36*t38*t1396 | ^ Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:280:13: 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 @@ -14990,3095 +13930,1945 @@ 267 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & | ^ note: 't1' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_ke_gga.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod xc_input_constants.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_lyp_adiabatic.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_cs1.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_cs1.F xc_cs1.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_ke_gga.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_optx.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_optx.F xc_optx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_cs1.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_tfw.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_tfw.F xc_tfw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_optx.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:2130:30: - 300 | - t10*t14*t107) + t34*t189 - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:94: + 2130 | t998 = mu**2 + | ^ +Warning: 'mu' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1520:25: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + 1520 | kf_brhobrhob, mu + | ^ +note: 'mu' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1731:51: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:90: + 1731 | Fx_b = 0.1e1_dp + kappa - kappa/t153 + | ^ +Warning: 'kappa' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1519:42: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1519 | k_s1rhob, k_srhoa, k_srhob, kappa, kf_a, kf_arhoa, kf_arhoarhoa, kf_b, kf_brhob, & + | ^ +note: 'kappa' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1688:31: + + 1688 | t101 = beta*t100 + | ^ +Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F:1508:24: + + 1508 | Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & + | ^ +note: 'beta' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xwpbe.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1659:33: + + 1659 | t232 = 0.1e1_dp/t100/t99 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1520:22: + + 1520 | t96, t97, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1715:46: + + 1715 | (-t385 - t341 + t387)*t95*t237 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1520:17: + + 1520 | t96, t97, t99 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1795:88: + + 1795 | - t580 + t618)*t95*t237 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:95: + + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1795:88: + + 1795 | - t580 + t618)*t95*t237 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:90: + + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: +note: 't94' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1715:46: - 306 | t51*t14*my_ndrho*t63) - | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:85: + 1715 | (-t385 - t341 + t387)*t95*t237 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:85: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:281:37: +note: 't93' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1665:22: - 281 | t117 = 0.1e1_dp/t36/t6 - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:80: + 1665 | t247 = t91**2 + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:80: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: +note: 't91' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1666:24: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:76: + 1666 | t249 = t90/t247 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:75: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1641:23: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:71: + 1641 | t191 = t190*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:70: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & - | ^ -note: 't58' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1661:23: - 300 | - t10*t14*t107) + t34*t189 - | ^ -Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:61: + 1661 | t234 = t86*t89 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:66: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1664:27: + + 1664 | t242 = t87*t88*t93 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:61: + + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ -note: 't52' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: +note: 't88' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1664:27: - 306 | t51*t14*my_ndrho*t63) - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:56: + 1664 | t242 = t87*t88*t93 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:56: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: +note: 't87' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1661:23: - 306 | t51*t14*my_ndrho*t63) - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:51: + 1661 | t234 = t86*t89 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:51: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: - - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:46: - - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: +note: 't86' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:41: + 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:41: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: +note: 't84' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1799:24: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:36: + 1799 | t638 = t578*t83 + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1519:36: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1519 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: +note: 't83' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1677:24: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:31: + 1677 | t280 = t108*t66 + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1518:53: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:275:28: + 1518 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - 275 | t78 = t77*t42 - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:26: + 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1518:24: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + 1518 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1634:25: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:21: + 1634 | t177 = t61*gamma + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1517:50: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & + 1517 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1788:21: + + 1788 | t612 = t3*t6 | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1517:45: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ + 1517 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1742:24: + + 1742 | t462 = t59*t189 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1517:29: + + 1517 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1629:25: + + 1629 | t167 = t51*gamma + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:90: + + 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1639:32: + + 1639 | t189 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:67: + + 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1795:88: + + 1795 | - t580 + t618)*t95*t237 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:62: + + 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1740:23: + + 1740 | t458 = t49*t61 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:58: + + 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1638:22: + + 1638 | t186 = t4*t48 + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1515:35: + + 1515 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1626:25: + + 1626 | t159 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1513:74: + + 1513 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1738:23: + + 1738 | t454 = t40*t51 + | ^ Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:16: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1513:51: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & - | ^ + 1513 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ note: 't40' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:282:27: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1625:22: - 282 | t122 = t9*t4 - | ^ + 1625 | t157 = t4*rho + | ^ Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:216:11: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1513:46: - 216 | t4, t40, t41, t42, t43, t45, t46, t47, t50, t51, t52, t57, t58, t59, t6, t63, t65, t7, & - | ^ + 1513 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1706:58: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:94: + 1706 | *t332 - 0.80e2_dp/0.729e3_dp*t79*t182*t336 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1513:24: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + 1513 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1615:25: - 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:89: + 1615 | t133 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1511:70: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:281:37: + 1511 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1639:32: - 281 | t117 = 0.1e1_dp/t36/t6 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:84: + 1639 | t189 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1511:53: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + 1511 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1736:23: - 306 | t51*t14*my_ndrho*t63) - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:79: + 1736 | t450 = t31*t42 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1511:18: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't34' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:277:39: + 1511 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1657:25: - 277 | t94 = 0.1e1_dp/t3/my_rho - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:74: + 1657 | t186*t191 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1510:97: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + 1510 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1671:86: - 300 | - t10*t14*t107) + t34*t189 - | ^ + 1671 | t256)*t95*t237 - t94*t97/t29 + | ^ Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:70: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1510:64: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ + 1510 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & + | ^ note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1675:21: - 300 | - t10*t14*t107) + t34*t189 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:65: + 1675 | t272 = R*t23 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1509:29: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + 1509 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1619:42: - 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:60: + 1619 | t140 = 0.1e1_dp/(0.1e1_dp + t138) + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1508:93: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + 1508 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1613:22: - 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) - | ^ -Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:55: + 1613 | t128 = t5*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1507:71: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't20' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + 1507 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1809:66: - 300 | - t10*t14*t107) + t34*t189 - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:50: + 1809 | *t233*t623/0.24e2_dp)*sx + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:43: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: + 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1690:76: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + 1690 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:40: - - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:37: - 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:23: + 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1809:66: - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:276:31: + 1809 | *t233*t623/0.24e2_dp)*sx + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:31: - 276 | t87 = t16*my_rho + 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:215:18: - - 215 | t153, t16, t17, t180, t189, t19, t195, t2, t20, t25, t28, t29, t3, t34, t36, t37, t38, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:296:76: +note: 't119' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1690:76: - 296 | - 0.4666666667e1_dp*t57*d*t34*t180*t117) + 1690 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:97: +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:25: - 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - 306 | t51*t14*my_ndrho*t63) - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:92: + 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1506:19: - 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: + 1506 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: - 306 | t51*t14*my_ndrho*t63) - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:87: + 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:96: - 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:280:82: + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1687:36: - 280 | *t94*t7 + 0.23333333333333333333e1_dp*t57*t34*t50*t37) - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:59: + 1687 | - 0.4e1_dp*t299*t116 + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:90: - 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:300:83: + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't111' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1759:86: - 300 | - t10*t14*t107) + t34*t189 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:48: + 1759 | t468 + t506)*t95*t237 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:84: - 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: + + 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:78: + + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: + + 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:72: + + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1798:37: + + 1798 | /0.3e1_dp*t626)*t106 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:66: + + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1783:25: + + 1783 | t581 = t580*t103 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:54: + + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1807:57: + + 1807 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:48: + + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1764:25: + + 1764 | t525 = t143*t101 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:42: + + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1659:33: + + 1659 | t232 = 0.1e1_dp/t100/t99 + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:36: + + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1671:86: + + 1671 | t256)*t95*t237 - t94*t97/t29 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1505:30: + + 1505 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:306:52: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1321:43: - 306 | t51*t14*my_ndrho*t63) - | ^ -Warning: 'my_ndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:214:35: + 1321 | t231 = REAL(t85, KIND=dp)/t100/t99 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:51: - 214 | REAL(kind=dp) :: cf, my_ndrho, my_rho, t10, t107, t11, t117, t12, t122, t125, t13, t14, t15, & - | ^ -note: 'my_ndrho' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_perdew_wang.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_input_constants.mod xc_derivative_desc.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:653:132: + 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1377:50: - 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:91: + 1377 | t94*(-t317 - t340 + t358)*t95*t235 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:46: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:653:132: + 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1459:88: - 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) - | ^ + 1459 | - t587 + t600)*t95*t235 + | ^ Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:86: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:36: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ + 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:640:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1459:88: - 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) - | ^ + 1459 | - t587 + t600)*t95*t235 + | ^ Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:81: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:31: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ + 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1377:50: - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ + 1377 | t94*(-t317 - t340 + t358)*t95*t235 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:26: + + 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1326:22: + + 1326 | t245 = t91**2 + | ^ Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:76: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:21: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ + 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1327:24: - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ + 1327 | t247 = t90/t245 + | ^ Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:71: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:16: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ + 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:589:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1300:23: - 589 | t216 = 0.1e1_dp/t77/t9 - | ^ + 1300 | t187 = t186*t9 + | ^ Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1182:11: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ + 1182 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:594:59: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1322:23: - 594 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp - | ^ + 1322 | t232 = t86*t89 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:97: + + 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1325:27: + + 1325 | t240 = t87*t88*t93 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:92: + + 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1325:27: + + 1325 | t240 = t87*t88*t93 + | ^ Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:62: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:87: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ + 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1322:23: - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ + 1322 | t232 = t86*t89 + | ^ Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:82: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ + 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:566:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - 566 | t153 = 0.1e1_dp/t21/t84 - | ^ + 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:47: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:72: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ + 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:628:108: - - 628 | - t300 - 0.1111111111e0_dp*t115*t316) - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:37: - - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:603:42: - - 603 | t280 = t102*t169*t78*lambda - | ^ -Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:32: - - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't78' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:589:37: - - 589 | t216 = 0.1e1_dp/t77/t9 - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:27: - - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:602:31: - - 602 | t276 = d*t76*t10 - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:22: - - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:590:71: - - 590 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:17: - - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:653:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1463:24: - 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) - | ^ -Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:462:12: + 1463 | t639 = t585*t83 + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:67: - 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 - | ^ -note: 't73' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:619:95: + 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - 619 | - t151 + t157 - t18*t24*t202) + t73*t307 - | ^ -Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:90: + 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1181:26: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't67' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:636:61: + 1181 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1387:35: - 636 | *t355) + REAL(2*t65*my_ndrhoa, dp) - | ^ + 1387 | t414 = ndrho*t141*t65*t114 + | ^ Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:85: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1180:70: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ + 1180 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + | ^ note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:644:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1293:25: - 644 | *t387) + REAL(2*t63*my_ndrhob, dp) - | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:80: + 1293 | t173 = t61*gamma + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1180:18: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:558:41: + 1180 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1444:35: - 558 | t135 = 0.1e1_dp/t6/t19*t78 - | ^ + 1444 | t574 = t3*t6*t572/0.9e1_dp + | ^ Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:70: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1179:73: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ + 1179 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & + | ^ note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:624:67: - - 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:66: - - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't58' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1407:24: - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:61: + 1407 | t471 = t59*t185 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1179:63: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:636:61: + 1179 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1288:25: - 636 | *t355) + REAL(2*t65*my_ndrhoa, dp) - | ^ + 1288 | t163 = t51*gamma + | ^ Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:56: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1178:27: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ + 1178 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ note: 't51' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:619:95: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1298:32: - 619 | - t151 + t157 - t18*t24*t202) + t73*t307 - | ^ + 1298 | t185 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1178:22: + + 1178 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1459:88: + + 1459 | - t587 + t600)*t95*t235 + | ^ Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:51: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1178:17: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ + 1178 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:587:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1405:23: - 587 | *my_rhoa + t196)*t48 + t200*t47 - | ^ + 1405 | t467 = t49*t61 + | ^ Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:47: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1177:64: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ + 1177 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + | ^ note: 't49' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:624:67: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1297:22: - 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 - | ^ + 1297 | t182 = t4*t48 + | ^ Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:42: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1177:53: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ + 1177 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + | ^ note: 't48' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:624:67: - - 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:37: - - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:636:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1285:25: - 636 | *t355) + REAL(2*t65*my_ndrhoa, dp) - | ^ -Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:461:32: + 1285 | t155 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1176:18: - 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & - | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + 1176 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1403:23: - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:460:73: + 1403 | t463 = t40*t51 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1175:73: - 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + 1175 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:650:103: +note: 't40' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1284:22: - 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:460:68: + 1284 | t153 = t4*rho + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1175:68: - 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 + 1175 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:624:67: +note: 't4' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1367:58: - 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 - | ^ + 1367 | *t331 - 0.80e2_dp/0.729e3_dp*t79*t178*t335 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1175:34: + + 1175 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1275:25: + + 1275 | t134 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1173:70: + + 1173 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1298:32: + + 1298 | t185 = 0.1e1_dp/t50/t32 + | ^ Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:460:12: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1173:53: - 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 - | ^ + 1173 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ note: 't32' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:642:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1401:23: - 642 | t387 = t3*my_ndrhob - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:459:69: + 1401 | t459 = t31*t42 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1173:18: - 459 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:587:132: + 1173 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1314:25: - 587 | *my_rhoa + t196)*t48 + t200*t47 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:459:41: + 1314 | t182*t187 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1172:91: - 459 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:644:61: + 1172 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1330:86: - 644 | *t387) + REAL(2*t63*my_ndrhob, dp) - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:458:76: + 1330 | t221)*t95*t235 - t94*t97/t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1172:76: - 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & + 1172 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: - - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:458:65: - - 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & - | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:640:132: +note: 't29' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1448:28: - 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) - | ^ + 1448 | t587 = t23*t585*t83 + | ^ Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:458:48: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1171:30: - 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & - | ^ + 1171 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & + | ^ note: 't23' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:590:71: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1279:42: - 590 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 - | ^ + 1279 | t141 = 0.1e1_dp/(0.1e1_dp + t139) + | ^ Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:457:92: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1170:63: - 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & - | ^ + 1170 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & + | ^ note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:581:46: - - 581 | t194 = 0.1333333333e1_dp*t2*t42 - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:457:75: - - 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:650:103: - - 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:457:53: - - 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: - - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:457:24: - - 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:596:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1273:22: - 596 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103 - | ^ + 1273 | t129 = t5*t17 + | ^ Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:456:88: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1169:65: - 456 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & - | ^ + 1169 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & + | ^ note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:568:29: - - 568 | t162 = t15*t76 - | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:456:42: - - 456 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1351:56: - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:49: + 1351 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1168:31: - 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:628:108: + 1168 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1351:56: - 628 | - t300 - 0.1111111111e0_dp*t115*t316) - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:43: + 1351 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1168:25: - 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:640:132: + 1168 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:37: + 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1168:19: - 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:640:132: + 1168 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't120' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:31: + 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1168:13: - 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:653:132: + 1168 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1466:70: - 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:25: + 1466 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:96: - 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:616:103: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - 616 | t300 - 0.1111111111e0_dp*t115*t188) - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:455:13: + 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:90: - 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:619:95: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - 619 | - t151 + t157 - t18*t24*t202) + t73*t307 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:454:84: + 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:84: - 454 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:557:43: +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1424:86: - 557 | t132 = 0.40e1_dp*t1*t129*t10 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F:454:79: + 1424 | t477 + t490)*t95*t235 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:78: - 454 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & - | ^ -note: 't1' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_tfw.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xwpbe.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathlib.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F xc_xwpbe.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_perdew_wang.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xwpbe.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:604:60: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1472:54: - 604 | + tr*r(2) + tzz*z(0, 1)**2 + tz*z(0, 2) - | ^ -Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:493:63: + 1472 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:72: - 493 | tzz, tzzz - | ^ -note: 'tzz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:600:56: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1462:69: - 600 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:89: + 1462 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:66: - 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:602:65: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1462:69: - 602 | + tr*r(2) + tzz*z(1, 0)*z(0, 1) + tz*z(1, 1) - | ^ -Warning: 'trr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:72: + 1462 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:54: - 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trr' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:635:53: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1319:27: - 635 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) - | ^ -Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:99: + 1319 | t227 = t102*R*t219 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:48: - 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:613:53: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1351:56: - 613 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:67: + 1351 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:42: - 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tr' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:635:53: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1321:43: - 635 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) - | ^ -Warning: 'tzzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:493:69: + 1321 | t231 = REAL(t85, KIND=dp)/t100/t99 + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:36: - 493 | tzz, tzzz - | ^ -note: 'tzzz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:621:65: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1330:86: - 621 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) - | ^ -Warning: 'trzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:95: + 1330 | t221)*t95*t235 - t94*t97/t29 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1167:30: - 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trzz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:613:53: + 1167 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_tfw.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_tfw.F xc_tfw.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:290:79: - 613 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:84: + 290 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:228:80: - 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trrz' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:621:65: + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'dt' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:289:99: - 621 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) - | ^ -Warning: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F:492:78: + 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:228:76: - 492 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trrr' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_hcth.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_hcth.F xc_hcth.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xalpha.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xalpha.F xc_xalpha.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_hcth.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xalpha.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_vwn.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod bibliography.mod xc_input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F xc_vwn.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'ds_rho' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:290:79: - 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:72: + 290 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:228:68: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1259:104: + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'ds_ndrho' was declared here +/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:435:57: - 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:61: + 435 | ps_implicit_env%ehartree = ehartree/vol_scfac + | ^ +Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:340:69: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 340 | vol_scfac + | ^ +note: 'vol_scfac' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:489:89: - 1551 | t98*t1400 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:56: + 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:425:80: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1274:72: + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'dt' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:488:109: - 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:45: + 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:425:76: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'ds_rho' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:489:89: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:40: + 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:425:68: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1271:55: + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'ds_ndrho' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_tfw.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:952:23: - 1271 | t87 + 0.8000000000e1_dp*t393*t397 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:29: + 952 | t204 = t203*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:835:31: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1326:66: + 835 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - 1326 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 - | ^ + 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:12: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:835:22: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^ + 835 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^ note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1373:39: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:934:24: - 1373 | t669 = 0.1e1_dp/t85/t667 - | ^ + 934 | t160 = t85*t103 + | ^ Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:89: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:835:17: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ + 835 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^ note: 't85' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1372:28: - - 1372 | t667 = t84**2 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:72: - - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:945:25: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:61: + 945 | t190 = t81*gamma + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:96: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1391:67: + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1019:24: - 1391 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 - | ^ + 1019 | t399 = t79*t202 + | ^ Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:45: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:91: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ note: 't79' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: - - 1380 | /t69*t669) - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:40: - - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: - - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:29: - - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1368:28: - - 1368 | t639 = t75**2 - | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:24: - - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1274:72: - - 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:84: - - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't72' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1500:31: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:940:25: - 1500 | t1177 = beta*t71 - | ^ + 940 | t180 = t71*gamma + | ^ Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:73: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:66: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ note: 't71' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:950:32: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:68: + 950 | t202 = 0.1e1_dp/t70/t35 + | ^ +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:61: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't70' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1017:23: - 1380 | /t69*t669) - | ^ + 1017 | t395 = t69*t81 + | ^ Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:64: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:56: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ note: 't69' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:949:22: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ + 949 | t199 = t3*t68 + | ^ Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:53: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:51: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ note: 't68' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:925:25: - 1551 | t98*t1400 - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:12: + 925 | t142 = t62*gamma + | ^ +Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:31: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1170:84: + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't62' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1015:23: - 1170 | 0.2222222224e0_dp*t24*t98*t155)*sx - | ^ + 1015 | t391 = t60*t71 + | ^ Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:45: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:26: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ note: 't60' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1036:32: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ + 1036 | t42*t43/0.4e1_dp + | ^ Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:40: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:21: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1496:31: - - 1496 | t1153 = t27*t590 - | ^ -Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:36: - - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't590' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1000:58: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ + 1000 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 + | ^ Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:834:17: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ + 834 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ note: 't59' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:25: - - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't586' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1008:22: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't580' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:19: + 1008 | t376 = t5*t36 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:833:68: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't580' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 833 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:969:22: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:13: + 969 | t245 = t49**2 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:833:64: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't576' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 833 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:932:28: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:96: + 932 | t158 = 0.1e1_dp/t47 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:833:30: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't575' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 833 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1011:31: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:90: + 1011 | - t42*t43*gamma + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:832:94: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't574' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 832 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:927:23: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:84: + 927 | t154 = t42*t23 + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:832:89: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't573' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 832 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:922:28: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't572' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:78: + 922 | t134 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:832:72: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't572' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 832 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:987:51: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't571' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:72: + 987 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:832:49: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't571' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 832 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:937:25: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:66: + 937 | t167 = t36*gamma + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:831:23: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't570' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 831 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:950:32: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:60: + 950 | t202 = 0.1e1_dp/t70/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:831:12: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't566' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 831 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1013:23: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:54: + 1013 | t387 = t34*t62 + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:830:90: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't562' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + 830 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^ +note: 't34' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:921:40: - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:48: + 921 | t131 = 0.1e1_dp/t4/t33*gamma*t9 + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:830:79: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 830 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:923:22: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:43: + 923 | t137 = t3*t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:830:62: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't539' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 830 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:37: + 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:830:17: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't537' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 830 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:931:53: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't536' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:31: + 931 | t42*t23*t124*t16 - t154*t131/0.8e1_dp + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:829:47: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't536' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 829 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1036:32: - 1551 | t98*t1400 + 1036 | t42*t43/0.4e1_dp | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:13: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^ -note: 't530' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1584:49: - - 1584 | *sx - | ^ -Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:93: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't529' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:829:24: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:87: + 829 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:970:29: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't526' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 970 | t248 = t21*t106/t245 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:828:51: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't525' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:81: + 828 | t2, t20, t202, t203, t204, t207, t208, t21, t210, t211, t22, t23, t237, t24, t240, t245, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:967:21: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't525' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 967 | *t204 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:827:65: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:75: + 827 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:935:22: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't521' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 935 | t162 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:827:24: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:69: + 827 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:931:53: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't52' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1365:38: + 931 | t42*t23*t124*t16 - t154*t131/0.8e1_dp + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:826:78: - 1365 | t624 = 0.1e1_dp/t8/t519 - | ^ -Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:64: + 826 | t124, t131, t134, t137, t138, t142, t143, t154, t157, t158, t159, t16, t160, t162, t165, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't519' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:97: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:58: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1051:72: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't514' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 1051 | /0.2e1_dp))*sx + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:91: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:52: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1051:72: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't513' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: + 1051 | /0.2e1_dp))*sx + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:85: - 1404 | REAL(t46, KIND=dp) - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:46: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1051:72: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 1051 | /0.2e1_dp))*sx + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:79: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:41: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't111' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't508' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:73: - 1551 | t98*t1400 - | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:35: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:971:25: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't505' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 971 | t249 = t109*t102 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:67: - 1551 | t98*t1400 - | ^ -Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:29: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:972:29: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + 972 | t255 = t21*t106*t108 | ^ -note: 't502' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbeef.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F xc_xbeef.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:23: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't501' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1125:31: - - 1125 | t84 = 1 + t5*t10 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:17: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1429:30: - - 1429 | t857 = t27*t496 - | ^ -Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:13: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^ -note: 't496' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1483:76: - - 1483 | + t1136) - | ^ -Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:96: - - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't492' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:90: - - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:85: - - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't489' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:61: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:79: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't486' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:55: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:73: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't107' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1051:72: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't482' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 1051 | /0.2e1_dp))*sx + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:49: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:62: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:1045:53: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't479' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + 1045 | t487 = t459*t160 + t472*t103 - t86*t211*t484 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:37: - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:56: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:982:125: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't478' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 982 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:825:31: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:50: + 825 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't473' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:591:17: - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:44: + 591 | t96, t97, yval + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't470' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:591:12: - 1404 | REAL(t46, KIND=dp) - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:38: + 591 | t96, t97, yval + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:96: - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:33: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^ -note: 't467' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:91: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:27: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:712:27: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + 712 | t217 = t21*t91*t93 | ^ -note: 't466' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:86: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:71: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't465' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:81: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:65: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't92' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:76: - 1475 | t41*t328*t466 - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:59: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:692:23: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't463' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + 692 | t166 = t165*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:71: - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:53: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:708:53: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 708 | t202 = -t121*t122 + t170*t88 - t71*t173*t199 | ^ -note: 't462' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't460' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:47: +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:62: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't460' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx | ^ -Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:41: - - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:36: - - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't457' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:57: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & | ^ -Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:30: +note: 't87' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't455' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1512:57: + 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:27: - 1512 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:24: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:724:24: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 724 | t249 = t120*t70 | ^ -note: 't452' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:18: +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:22: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^ -note: 't451' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1137:49: + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't70' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:685:25: - 1137 | t103 = EXP(-0.9000000000e1_dp*t44) - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:12: + 685 | t152 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:590:12: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 590 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:94: - - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't435' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:88: - - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:83: - - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't429' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:77: - - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't428' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1391:67: - - 1391 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:71: - - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:66: +note: 't66' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:761:24: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't418' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 761 | t361 = t64*t164 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:93: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:60: + 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:680:25: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't417' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 680 | t142 = t56*gamma + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:68: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:54: + 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't56' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:690:32: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't413' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 690 | t164 = 0.1e1_dp/t55/t37 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:63: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:42: +note: 't55' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:759:23: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 759 | t357 = t54*t66 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:58: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:37: + 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:689:22: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't408' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 689 | t161 = t3*t53 + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:53: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:31: + 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't53' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:750:22: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't405' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 750 | t340 = t5*t38 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:38: - 1551 | t98*t1400 - | ^ -Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:25: + 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:677:25: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + 677 | t134 = t47*gamma | ^ -note: 't404' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: - - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:19: - - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't401' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:13: +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:23: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^ -note: 't400' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:757:23: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:92: + 757 | t353 = t45*t56 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:589:12: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 589 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:738:58: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:87: + 738 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:588:87: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + 588 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & | ^ -note: 't397' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: - - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:81: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't393' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:75: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: - - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:70: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't384' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: - - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:64: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't383' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: +note: 't44' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:723:22: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:58: + 723 | t246 = t4*t38 + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:588:42: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't382' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + 588 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:52: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:587:70: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ + 587 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^ note: 't38' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: - - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:47: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't377' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: - - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:41: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't372' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:690:32: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ + 690 | t164 = 0.1e1_dp/t55/t37 + | ^ Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:35: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:587:59: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ + 587 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^ note: 't37' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: - - 1551 | t98*t1400 - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:30: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't368' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1584:49: - - 1584 | *sx - | ^ -Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:24: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't365' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:755:23: - 1551 | t98*t1400 - | ^ + 755 | t349 = t36*t47 + | ^ Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:18: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:587:24: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ + 587 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^ note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1361:30: - - 1361 | t601 = t27*t358 - | ^ -Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:13: - - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^ -note: 't358' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't354' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:96: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't354' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:90: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't351' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:84: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't347' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: - - 1404 | REAL(t46, KIND=dp) - | ^ -Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:78: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't346' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:72: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't343' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:61: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't339' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: - - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:55: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't335' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: - - 1404 | REAL(t46, KIND=dp) - | ^ -Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:49: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't330' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:43: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't328' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:37: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't326' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:31: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't325' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1461:38: - - 1461 | *t128*t323*t172 - | ^ -Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:25: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't323' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:19: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't321' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:13: - - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^ -note: 't319' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:97: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't316' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:91: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't313' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:85: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't312' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:73: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1483:76: - - 1483 | + t1136) - | ^ -Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:68: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't304' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1142:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:687:26: - 1142 | t109 + 687 | t157 = t3*t44*t35 | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:62: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1442:30: - - 1442 | t1002 = t3*t196 - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:57: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:53: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't297' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:47: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't293' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1192:35: - - 1192 | t211 = rho*t29*omega - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:41: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:36: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't289' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:30: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't285' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:24: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't284' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:18: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't281' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:12: - - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:95: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't271' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:89: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't270' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:78: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't265' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:72: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't264' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: - - 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:61: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't259' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: - - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:55: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't258' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:49: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't255' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: - - 1380 | /t69*t669) - | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:43: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't254' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:37: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't251' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: - - 1380 | /t69*t669) - | ^ -Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:31: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't250' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: - - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:25: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't245' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:19: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't244' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:13: - - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^ -note: 't241' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: - - 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:96: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:91: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't237' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:85: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't233' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: - - 1380 | /t69*t669) - | ^ -Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:79: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't232' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:586:75: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:67: + 586 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:749:46: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't230' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1138:34: + 749 | /0.2e1_dp))*sx + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:586:34: - 1138 | t104 = 0.1e1_dp/t23 + 586 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:61: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:56: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't226' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: - - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:50: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't225' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:44: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't222' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1366:30: - - 1366 | t628 = t221*t76 - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:38: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't221' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: +note: 't34' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:722:74: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + 722 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:32: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: - - 1380 | /t69*t669) - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:27: - - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^ -note: 't219' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: - - 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:70: +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:585:85: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't216' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: + 585 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:709:22: - 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:64: + 709 | t207 = t28**2 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:585:64: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + 585 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & | ^ -note: 't213' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: - - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:58: - - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't212' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: +note: 't28' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:672:42: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:52: + 672 | t120 = 0.1e1_dp/(0.1e1_dp + t118) + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:585:18: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't211' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1563:31: + 585 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1563 | t1472 = t572*t21 - | ^ + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:46: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:584:24: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ + 584 | t208, t209, t21, t217, t218, t22, t220, t227, t229, t23, t234, t246, t249, t252, t255, & + | ^ note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: - - 1551 | t98*t1400 - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:41: - - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't207' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1261:30: - - 1261 | t365 = t27*t200 - | ^ -Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:35: - - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't200' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:29: - - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1483:76: - - 1483 | + t1136) - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:25: - - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't196' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:19: - - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't190' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:13: - - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^ -note: 't186' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:96: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't185' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1174:59: - - 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:90: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:85: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't177' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1316:79: - - 1316 | *t24*t98*t496)*sx - | ^ -Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:73: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't173' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1584:49: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:707:21: - 1584 | *sx - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:67: + 707 | *t166 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:583:65: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't172' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + 583 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:666:22: - 1380 | /t69*t669) - | ^ + 666 | t108 = t4*t17 + | ^ Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:583:42: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ + 583 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & + | ^ note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1329:41: - - 1329 | - 0.20e1_dp*t6*t526 - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:56: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't169' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: - - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:50: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't168' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1201:38: - - 1201 | t230 = 0.1e1_dp/t75/t16 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:44: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1191:30: - - 1191 | t207 = t27*t155 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:32: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:26: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:20: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't148' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:93: - - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't147' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:80: - - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't146' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:60: - - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't143' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: - - 1475 | t41*t328*t466 - | ^ -Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:47: - - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't141' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:20: - - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: - - 1404 | REAL(t46, KIND=dp) - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:89: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't137' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: - - 1404 | REAL(t46, KIND=dp) - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:83: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:77: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1217:69: - - 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:50: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1512:57: - - 1512 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:44: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1217:69: - - 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:38: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1512:57: - - 1512 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:25: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:19: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:13: - - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:85: - - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: - - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:79: - - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1483:76: - - 1483 | + t1136) - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:74: - - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:61: - - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: - - 1551 | t98*t1400 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:41: - - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:89: - - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: - - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:83: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:581:43: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:70: + 581 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:581:37: - 1542 | *t36*t38*t1396 + 581 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:58: - - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:45: - - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1362:36: - - 1362 | t605 = rho*t104*omega - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:32: - - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:26: - - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1035:77: - - 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: +note: 't101' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:795:105: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1035:72: + 795 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F:581:31: - 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & - | ^ -note: 't1' was declared here + 581 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbecke88_lr_adiabatic.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbecke88_lr_adiabatic.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xlda_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod base_hooks.mod mathconstants.mod kinds.mod mathlib.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5635:90: 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho @@ -19454,7 +17244,6 @@ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_vwn.F90 /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:993:90: 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & @@ -20230,13 +18019,135 @@ 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: 't1' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_thomas_fermi.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbeef.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbecke88_lr_adiabatic.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_thomas_fermi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbecke88_lr_adiabatic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xlda_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xalpha.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xalpha.F xc_xalpha.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:245:72: + + 245 | t82, t86, t9, t91, t95 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:95: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:91: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:86: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't67' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:71: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:244:67: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:243:77: + + 243 | t24, t25, t3, t32, t33, t36, t4, t41, & + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:243:68: + + 243 | t24, t25, t3, t32, t33, t36, t4, t41, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:242:86: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't2' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:242:77: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:242:72: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F:242:62: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_vwn.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod xc_input_constants.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F xc_vwn.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xalpha.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_vwn.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_ke_gga.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod mathconstants.mod kinds.mod xc_input_constants.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5635:90: 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho @@ -20947,6 +18858,21 @@ 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^ note: 't372' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: + + 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:72: + + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1259:104: + + 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) @@ -20957,6 +18883,11 @@ 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^ note: 't368' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:61: + + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't95' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -20967,6 +18898,16 @@ 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^ note: 't367' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:56: + + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't94' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) @@ -20977,16 +18918,56 @@ 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^ note: 't363' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1274:72: + + 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:45: + + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't91' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:40: + + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't90' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:385:36: 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^ note: 't362' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1271:55: + + 1271 | t87 + 0.8000000000e1_dp*t393*t397 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:29: + + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1326:66: + + 1326 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1055:12: + + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^ +note: 't86' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) @@ -20997,21 +18978,61 @@ 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^ note: 't361' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1373:39: + + 1373 | t669 = 0.1e1_dp/t85/t667 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:89: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't85' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) | ^ Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1372:28: + + 1372 | t667 = t84**2 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:72: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't84' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:385:19: 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^ note: 't359' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:61: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1391:67: + + 1391 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:869:34: 869 | - t147*t148*t1114 | ^ Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:45: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't79' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:385:13: 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & @@ -21022,26 +19043,76 @@ 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + + 1380 | /t69*t669) + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:40: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't77' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:384:96: 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't357' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:29: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't76' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1368:28: + + 1368 | t639 = t75**2 + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1054:24: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^ +note: 't75' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:384:90: 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't356' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1274:72: + + 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:84: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't72' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1500:31: + + 1500 | t1177 = beta*t71 + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:73: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't71' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:384:84: 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & @@ -21052,11 +19123,36 @@ 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:68: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't7' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:384:78: 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't347' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + + 1380 | /t69*t669) + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:64: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -21077,6 +19173,11 @@ 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't344' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:53: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't68' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:800:30: 800 | t910 = t119*t343*t123 @@ -21087,6 +19188,11 @@ 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't343' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -21107,6 +19213,11 @@ 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't340' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1053:12: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^ +note: 't64' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -21117,6 +19228,21 @@ 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't339' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1170:84: + + 1170 | 0.2222222224e0_dp*t24*t98*t155)*sx + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:45: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't60' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:797:25: 797 | t888 = t338*t887 @@ -21127,21 +19253,56 @@ 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't338' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:40: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't6' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1496:31: + + 1496 | t1153 = t27*t590 + | ^ +Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:36: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't590' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:384:19: 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & | ^ note: 't336' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:30: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) | ^ Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:25: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't586' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:79: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & @@ -21152,21 +19313,61 @@ 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't580' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:19: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't580' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:73: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't326' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1052:13: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^ +note: 't576' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:789:24: 789 | t854 = t323*t83 | ^ Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:96: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't575' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:67: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't323' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:90: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't574' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) @@ -21177,6 +19378,21 @@ 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't321' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:84: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't573' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't572' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) @@ -21187,46 +19403,131 @@ 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't314' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:78: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't572' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:918:132: 918 | + t412*t1362 + t412*t1365)) | ^ Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't571' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:72: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't571' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:39: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't307' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:66: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't570' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:60: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't566' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:33: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't306' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:54: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't562' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:918:132: 918 | + t412*t1362 + t412*t1365)) | ^ Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:48: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't55' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:27: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't304' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:43: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't539' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) | ^ Warning: 't303' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:37: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't537' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:382:70: 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 | ^ note: 't303' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't536' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:31: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't536' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:873:93: 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) @@ -21237,6 +19538,16 @@ 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 | ^ note: 't301' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1051:13: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^ +note: 't530' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:787:132: 787 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) @@ -21252,21 +19563,51 @@ 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) | ^ Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1584:49: + + 1584 | *sx + | ^ +Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:93: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't529' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:382:48: 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 | ^ note: 't297' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:873:93: 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) | ^ Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:87: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't526' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:382:42: 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 | ^ note: 't294' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't525' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:81: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't525' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:873:93: 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) @@ -21277,6 +19618,16 @@ 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 | ^ note: 't291' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:75: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't521' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:787:132: 787 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) @@ -21292,6 +19643,16 @@ 904 | *t148*t404*t1117 | ^ Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:69: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't52' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:382:19: 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 @@ -21302,41 +19663,126 @@ 892 | *t71*t678)/0.2e1_dp) | ^ Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1365:38: + + 1365 | t624 = 0.1e1_dp/t8/t519 + | ^ +Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:64: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't519' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:382:13: 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 | ^ note: 't287' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:58: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't514' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:869:34: 869 | - t147*t148*t1114 | ^ Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:52: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't513' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:96: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't285' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: + + 1404 | REAL(t46, KIND=dp) + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:46: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't51' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:873:93: 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) | ^ Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:41: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't508' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:90: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't284' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:35: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't505' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:869:34: 869 | - t147*t148*t1114 | ^ Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:29: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't502' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:84: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't282' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:23: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't501' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1125:31: + + 1125 | t84 = 1 + t5*t10 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:825:51: 825 | *(t628)*(t391) + (4._dp*t394*t406) @@ -21347,6 +19793,11 @@ 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't281' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:17: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't5' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:869:34: 869 | - t147*t148*t1114 @@ -21357,16 +19808,46 @@ 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't278' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1429:30: + + 1429 | t857 = t27*t496 + | ^ +Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1050:13: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^ +note: 't496' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:869:34: 869 | - t147*t148*t1114 | ^ Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1483:76: + + 1483 | + t1136) + | ^ +Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:96: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't492' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:61: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't275' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:90: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't49' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:783:26: 783 | *t148*t788 @@ -21382,11 +19863,31 @@ 869 | - t147*t148*t1114 | ^ Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:85: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't489' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:49: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't272' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:79: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't486' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:919:88: 919 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t269*t520 - t76*t1369*Clda)*sx0 @@ -21402,41 +19903,101 @@ 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:37: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't266' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:73: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't482' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:770:63: 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:62: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't479' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:31: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't265' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:56: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't478' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:770:63: 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:50: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't473' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:25: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't263' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:44: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't470' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:763:65: 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: + + 1404 | REAL(t46, KIND=dp) + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:19: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't262' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:38: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't47' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:904:33: 904 | *t148*t404*t1117 @@ -21447,16 +20008,56 @@ 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't261' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:33: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't467' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) | ^ Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1049:27: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^ +note: 't466' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:89: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't258' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:71: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't465' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:65: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't464' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) @@ -21467,26 +20068,76 @@ 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't254' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:59: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't463' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) | ^ Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:53: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't462' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:77: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't253' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't460' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:47: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't460' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) | ^ Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:41: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:71: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't250' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:36: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't457' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) @@ -21497,41 +20148,121 @@ 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't249' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:30: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't455' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:763:65: 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1512:57: + + 1512 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ +Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:24: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't452' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:54: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't247' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:18: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't451' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:770:63: 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1137:49: + + 1137 | t103 = EXP(-0.9000000000e1_dp*t44) + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1048:12: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^ +note: 't44' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:48: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't246' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:94: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't435' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:906:33: 906 | t1358 = t1059*t1060*t245 | ^ Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:88: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't43' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:42: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't245' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:83: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't429' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:750:72: 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:77: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't428' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:36: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & @@ -21542,16 +20273,36 @@ 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1391:67: + + 1391 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:30: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't241' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:71: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:905:30: 905 | t1352 = 0.1e1_dp/t240 | ^ Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:66: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't418' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:24: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & @@ -21562,16 +20313,46 @@ 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:60: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't417' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:13: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't237' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:54: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't413' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:750:72: 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:42: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't41' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:95: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & @@ -21582,11 +20363,31 @@ 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:37: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't408' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:89: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't233' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:31: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't405' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:869:34: 869 | - t147*t148*t1114 @@ -21597,11 +20398,21 @@ 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't231' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:763:65: 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:25: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't404' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:77: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & @@ -21612,11 +20423,21 @@ 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 | ^ Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:65: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't225' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:19: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't401' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:860:26: 860 | t1082 = t425*t224 @@ -21627,21 +20448,61 @@ 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't224' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1047:13: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^ +note: 't400' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:748:53: 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: 't223' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:92: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't40' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:53: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't223' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:87: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't397' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:763:65: 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:81: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't393' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:47: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & @@ -21657,11 +20518,31 @@ 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't220' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:75: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:748:53: 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:70: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't384' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:30: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & @@ -21672,11 +20553,21 @@ 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:24: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't218' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:64: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't383' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) @@ -21687,31 +20578,71 @@ 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't215' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:58: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't382' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) | ^ Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:52: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't38' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:378:93: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't209' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:737:49: 737 | t12*t61) | ^ Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:47: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't377' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:378:87: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't207' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) | ^ Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:41: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't372' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:378:81: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & @@ -21747,16 +20678,36 @@ 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't200' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:35: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't37' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:738:24: 738 | t620 = t199*t13 | ^ Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:378:48: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't199' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:30: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't368' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:737:49: 737 | t12*t61) @@ -21772,21 +20723,51 @@ 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1584:49: + + 1584 | *sx + | ^ +Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:24: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't365' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:378:36: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't192' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:18: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't36' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:763:65: 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1361:30: + + 1361 | t601 = t27*t358 + | ^ +Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:378:30: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't191' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1046:13: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^ +note: 't358' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:751:25: 751 | t655 = t246*t190 @@ -21802,16 +20783,41 @@ 804 | t930 = t183*t188 | ^ Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't354' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:96: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't354' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:378:13: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't188' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:90: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't351' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:728:33: 728 | t566 = 0.1e1_dp/t187/t65 | ^ Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:377:96: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & @@ -21822,21 +20828,46 @@ 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:84: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't347' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:377:90: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't185' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: + + 1404 | REAL(t46, KIND=dp) + | ^ +Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:763:65: 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:78: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't346' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:377:84: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't184' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:72: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't343' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -21847,11 +20878,21 @@ 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't183' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:756:34: 756 | (48._dp*t258*t215) | ^ Warning: 't180' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:61: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't339' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:377:72: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & @@ -21872,16 +20913,36 @@ 720 | t542 = t175*t169 | ^ Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1468:68: + + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:55: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't335' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:377:55: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't175' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: + + 1404 | REAL(t46, KIND=dp) + | ^ +Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:726:70: 726 | *t550) | ^ Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:49: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't330' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:377:49: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & @@ -21897,6 +20958,11 @@ 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't173' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -21907,16 +20973,31 @@ 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't172' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:43: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't328' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:750:72: 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:377:19: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't166' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:37: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't326' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:899:72: 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 @@ -21927,6 +21008,11 @@ 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't165' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -21937,26 +21023,66 @@ 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & | ^ note: 't164' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:31: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't325' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:737:49: 737 | t12*t61) | ^ Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1461:38: + + 1461 | *t128*t323*t172 + | ^ +Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:25: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't323' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:376:89: 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & | ^ note: 't163' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:19: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't321' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:750:72: 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1045:13: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't319' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:376:83: 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & | ^ note: 't160' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:726:70: 726 | *t550) @@ -21967,6 +21093,11 @@ 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & | ^ note: 't159' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:97: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't316' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -21977,26 +21108,66 @@ 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & | ^ note: 't158' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:91: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't313' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:918:132: 918 | + t412*t1362 + t412*t1365)) | ^ Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:85: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't312' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:397:65: 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & | ^ note: 't95' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:73: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't31' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:593:24: 593 | t288 = t94*t287 | ^ Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1483:76: + + 1483 | + t1136) + | ^ +Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:397:60: 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & | ^ note: 't94' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:68: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't304' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:638:29: 638 | t376 = t111*t93*t138 @@ -22007,11 +21178,31 @@ 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & | ^ note: 't93' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1142:26: + + 1142 | t109 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:62: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't30' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1442:30: + + 1442 | t1002 = t3*t196 + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:57: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't3' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:397:26: 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & @@ -22022,21 +21213,51 @@ 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:53: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't297' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:396:56: 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 | ^ note: 't91' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:719:27: 719 | t540 = t21/t9/t537 | ^ Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:47: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't293' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:396:45: 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 | ^ note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1192:35: + + 1192 | t211 = rho*t29*omega + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:41: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't29' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:928:112: 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) @@ -22047,6 +21268,16 @@ 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 | ^ note: 't89' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:36: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't289' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:596:24: 596 | t294 = t231*t88 @@ -22057,11 +21288,26 @@ 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 | ^ note: 't88' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:30: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't285' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:928:112: 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) | ^ Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:395:77: 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & @@ -22072,6 +21318,11 @@ 650 | t400 = t188*t84 | ^ Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:24: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't284' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:395:54: 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & @@ -22082,11 +21333,31 @@ 955 | *t1365)) | ^ Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:18: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't281' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:395:49: 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & | ^ note: 't83' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1044:12: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^ +note: 't28' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:677:53: 677 | t435 = 2._dp*t426*t81 + t79*t430 - t147*t433 @@ -22097,16 +21368,36 @@ 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & | ^ note: 't81' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:95: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't271' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:586:24: 586 | t278 = t231*t80 | ^ Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:395:27: 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & | ^ note: 't80' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:89: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't270' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:592:85: 592 | *t282) - t147*t285 @@ -22117,11 +21408,31 @@ 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & | ^ note: 't79' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:78: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't265' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:647:24: 647 | t394 = t78*t165 | ^ Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:72: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't264' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:394:84: 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & @@ -22137,31 +21448,91 @@ 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & | ^ note: 't76' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: + + 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:61: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't259' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:771:22: 771 | t744 = t74**2 | ^ Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:55: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't258' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:394:39: 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & | ^ note: 't74' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:49: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't255' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:770:63: 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + + 1380 | /t69*t669) + | ^ +Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:43: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't254' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:394:28: 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & | ^ note: 't73' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:37: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't251' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:763:65: 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + + 1380 | /t69*t669) + | ^ +Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:31: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't250' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:394:23: 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & @@ -22172,11 +21543,21 @@ 618 | t340 = t70*t125 | ^ Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:393:88: 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & | ^ note: 't70' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:25: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't245' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:560:28: 560 | t233 = t69*t231*t71 @@ -22187,16 +21568,46 @@ 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & | ^ note: 't69' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:19: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't244' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:748:53: 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1043:13: + + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^ +note: 't241' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: + + 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:393:68: 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & | ^ note: 't68' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:96: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't24' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:534:24: 534 | t185 = t184*t67 @@ -22207,6 +21618,16 @@ 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & | ^ note: 't67' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:91: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't237' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:928:112: 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) @@ -22217,36 +21638,111 @@ 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & | ^ note: 't66' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:85: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't233' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + + 1380 | /t69*t669) + | ^ +Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:79: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't232' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:393:29: 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & | ^ note: 't65' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:67: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't230' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:767:30: 767 | a5*t18*t52*t63 | ^ Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1138:34: + + 1138 | t104 = 0.1e1_dp/t23 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:61: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't23' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:393:12: 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & | ^ note: 't63' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:56: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't226' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:737:49: 737 | t12*t61) | ^ Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:50: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't225' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:392:67: 392 | t557, t56, t566, t569, t570, t577, t579, t58, t59, t6, t61, t616, t620, t621, t627, t628, & | ^ note: 't61' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:44: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't222' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1366:30: + + 1366 | t628 = t221*t76 + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:737:49: 737 | t12*t61) @@ -22282,6 +21778,11 @@ 767 | a5*t18*t52*t63 | ^ Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:38: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't221' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:389:24: 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 @@ -22292,11 +21793,31 @@ 737 | t12*t61) | ^ Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:32: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't22' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + + 1380 | /t69*t669) + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:388:95: 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & | ^ note: 't46' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1042:27: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^ +note: 't219' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:721:26: 721 | t546 = t44*t28*t7 @@ -22312,26 +21833,66 @@ 555 | t224 = t42*t13 | ^ Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: + + 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:70: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't216' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:387:90: 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & | ^ note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1425:67: + + 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:64: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't213' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:737:49: 737 | t12*t61) | ^ Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:58: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't212' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:386:69: 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & | ^ note: 't40' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:543:24: 543 | t201 = t37*t200 | ^ Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:52: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't211' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:385:59: 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & @@ -22342,16 +21903,46 @@ 575 | t258 = a5*t36*t52 | ^ Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1563:31: + + 1563 | t1472 = t572*t21 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:46: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't21' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:385:24: 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^ note: 't36' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:41: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't207' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1261:30: + + 1261 | t365 = t27*t200 + | ^ +Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:737:49: 737 | t12*t61) | ^ Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:35: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't200' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:384:42: 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & @@ -22362,36 +21953,106 @@ 540 | t193 = t33*t173 | ^ Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:29: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't2' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:84: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't33' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1483:76: + + 1483 | + t1136) + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:25: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't196' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:538:24: 538 | t191 = t32*t190 | ^ Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:19: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't190' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:55: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't32' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1041:13: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^ +note: 't186' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:627:24: 627 | t358 = t31*t188 | ^ Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:96: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't185' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:383:44: 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't31' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1174:59: + + 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:90: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:767:30: 767 | a5*t18*t52*t63 | ^ Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:85: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't177' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:382:24: 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 @@ -22402,51 +22063,111 @@ 530 | t180 = t24*t44*t28 | ^ Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1316:79: + + 1316 | *t24*t98*t496)*sx + | ^ +Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:381:72: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & | ^ note: 't28' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:73: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't173' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:742:23: 742 | t632 = t26*t15 | ^ Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1584:49: + + 1584 | *sx + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:67: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't172' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:94: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't26' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1380:63: + + 1380 | /t69*t669) + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:737:49: 737 | t12*t61) | ^ Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:61: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't17' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:65: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't25' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1329:41: + + 1329 | - 0.20e1_dp*t6*t526 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:56: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't169' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:722:28: 722 | t550 = t24*t207*t28 | ^ Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:380:18: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^ note: 't24' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:50: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't168' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:726:70: 726 | *t550) | ^ Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1201:38: + + 1201 | t230 = 0.1e1_dp/t75/t16 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:379:35: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & | ^ note: 't22' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:44: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't16' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:517:23: 517 | t159 = t2*t158 @@ -22457,51 +22178,151 @@ 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't2' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1191:30: + + 1191 | t207 = t27*t155 + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:32: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't155' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:527:24: 527 | t174 = t19*t173 | ^ Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:26: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't151' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:378:18: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & | ^ note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1040:20: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't148' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:767:30: 767 | a5*t18*t52*t63 | ^ Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:93: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ +note: 't147' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:377:66: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & | ^ note: 't18' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:80: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ +note: 't146' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:764:54: 764 | t707 = 2._dp*a1*t4*t16 + 12._dp*a2*t1*t21*t29 | ^ Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:60: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ +note: 't143' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:376:77: 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & | ^ note: 't16' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:47: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ +note: 't141' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:858:55: 858 | - t76*t1073*Clda)*sx0 | ^ Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1039:20: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^ +note: 't140' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:376:53: 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & | ^ note: 't156' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: + + 1404 | REAL(t46, KIND=dp) + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:89: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't137' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1404:40: + + 1404 | REAL(t46, KIND=dp) + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:936:56: 936 | *t148*t983*t1372 - t147*t148*t404*t1395 | ^ Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:83: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't136' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:376:27: 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & @@ -22517,6 +22338,21 @@ 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 | ^ note: 't15' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:77: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1217:69: + + 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:936:56: 936 | *t148*t983*t1372 - t147*t148*t404*t1395 @@ -22527,32 +22363,87 @@ 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 | ^ note: 't149' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:50: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't133' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:585:25: 585 | t275 = t148*t274 | ^ Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1512:57: + + 1512 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:44: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't132' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:375:64: 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 | ^ note: 't148' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1217:69: + + 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:38: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't130' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:709:67: 709 | t513 = 2._dp*t501*t150 + t147*t505 - t147*t508 - t147*t511 | ^ Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1512:57: + + 1512 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ +Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:25: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't128' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:375:58: 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 | ^ note: 't147' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:19: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:918:132: 918 | + t412*t1362 + t412*t1365)) | ^ Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:375:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1038:13: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:375:26: 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 | ^ @@ -22562,11 +22453,21 @@ 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:375:20: 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 | ^ note: 't142' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:85: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ +note: 't122' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:552:24: 552 | t220 = t14*t219 @@ -22577,6 +22478,26 @@ 374 | t1358, t136, t1362, t1365, t1369, t1372, t138, t1382, t1388, t139, t1392, t1395, t14, & | ^ note: 't14' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1440:55: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:79: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1483:76: + + 1483 | + t1136) + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:74: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ +note: 't118' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:955:132: 955 | *t1365)) @@ -22587,21 +22508,41 @@ 374 | t1358, t136, t1362, t1365, t1369, t1372, t138, t1382, t1388, t139, t1392, t1395, t14, & | ^ note: 't139' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:637:25: 637 | t374 = t135*t136 | ^ Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:61: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ +note: 't117' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:373:90: 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & | ^ note: 't135' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:955:132: 955 | *t1365)) | ^ Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1037:41: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ +note: 't116' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:373:64: 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & @@ -22612,11 +22553,31 @@ 633 | + t355*t363/0.2e1_dp) | ^ Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:89: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't113' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:373:58: 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & | ^ note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:83: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't112' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:633:43: 633 | + t355*t363/0.2e1_dp) @@ -22627,11 +22588,21 @@ 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & | ^ note: 't127' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) | ^ Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:70: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't11' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:373:33: 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & @@ -22642,31 +22613,61 @@ 618 | t340 = t70*t125 | ^ Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:373:20: 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & | ^ note: 't125' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:58: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't109' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) | ^ Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:372:94: 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & | ^ note: 't123' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:45: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't105' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:633:43: 633 | + t355*t363/0.2e1_dp) | ^ Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1362:36: + + 1362 | t605 = rho*t104*omega + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:372:88: 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & | ^ note: 't122' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:32: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't104' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:633:43: 633 | + t355*t363/0.2e1_dp) @@ -22677,16 +22678,46 @@ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & | ^ note: 't121' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1036:26: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't103' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1035:77: + + 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + | ^ +note: 't10' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:372:56: 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & | ^ note: 't12' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F:1035:72: + + 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + | ^ +note: 't1' was declared here /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:621:25: 621 | t344 = t119*t343 @@ -22777,18241 +22808,18235 @@ 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: 't1' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:290:79: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_lyp.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp.F xc_lyp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_ke_gga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_lyp.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 290 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:228:80: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't997' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:30: - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'dt' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:289:99: + 401 | t99, t991, t995, t997, xx + | ^ +note: 't997' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54: - 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:228:76: + 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 + | ^ +Warning: 't995' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:24: - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'ds_rho' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:290:79: + 401 | t99, t991, t995, t997, xx + | ^ +note: 't995' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 290 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:228:68: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't991' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:18: - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'ds_ndrho' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:489:89: + 401 | t99, t991, t995, t997, xx + | ^ +note: 't991' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:425:80: + 2260 | *t105*t5118 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:12: - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'dt' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:488:109: + 401 | t99, t991, t995, t997, xx + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:425:76: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't987' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:95: - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'ds_rho' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:489:89: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't987' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + 1832 | *t3339 + | ^ +Warning: 't984' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:89: + + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ -Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F:425:68: +note: 't984' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'ds_ndrho' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1044:48: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't980' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:77: - 1044 | t540 = 0.1817120592e1_dp*t98*t221 - | ^ + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't980' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:64: + + 2425 | - 0.80e1_dp*t5565 + t5568 + t5572 + t5574 + | ^ Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:62: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:71: - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ note: 't98' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1030:35: + 1866 | *t339*t969 + | ^ +Warning: 't976' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:60: - 1030 | t505 = t216*t96*t504 - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:46: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't976' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1038:28: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't974' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:48: - 1038 | t525 = t95**2 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:23: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't974' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1122:30: + 1866 | *t339*t969 + | ^ +Warning: 't973' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:42: - 1122 | t823 = t92*t373 - | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:12: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't973' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2416:60: - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:958:30: + 2416 | t5558 = 0.320e2_dp*t5060*t97*t104*my_rho*t233 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:30: - 958 | t382 = t381*t91 + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:97: +note: 't97' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1026:39: + 1866 | *t339*t969 + | ^ +Warning: 't969' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:25: - 1026 | t499 = 0.1e1_dp/t220/t90 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:92: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't969' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't966' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:19: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:87: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't966' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 1832 | *t3339 + | ^ +Warning: 't963' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:13: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:82: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't963' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:857:75: + 1866 | *t339*t969 + | ^ +Warning: 't962' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:92: - 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:53: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't962' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: + 1832 | *t3339 + | ^ +Warning: 't959' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:86: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:36: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't959' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't955' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:74: - 1165 | *t389*t573*t748 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:704:44: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't955' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2430:56: - 704 | REAL(KIND=dp) :: t792, t793, t798, t80, t800, t804, t807, t808, t810, t814, t820, t823, & - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 2430 | t5593 = 0.1066666667e2_dp*t321*t953*t5087 + | ^ +Warning: 't953' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:62: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:703:18: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't953' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 703 | t732, t74, t743, t745, t748, t752, t755, t758, t769, t78 - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + 1866 | *t339*t969 + | ^ +Warning: 't950' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:56: - 1135 | *t841 - t187*t851 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:702:28: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't950' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:612:38: - 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & - | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1111:39: + 612 | t341 = 0.1e1_dp/t19/t95 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:50: - 1111 | t769 = t68**(-0.40e1_dp) - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:702:23: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 1866 | *t339*t969 + | ^ +Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:45: - 1165 | *t389*t573*t748 - | ^ -Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:702:18: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^ +note: 't949' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & - | ^ -note: 't67' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:966:39: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't946' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:39: - 966 | t402 = 0.1e1_dp/t400/t59 + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:701:47: - - 701 | t567, t570, t573, t58, t583, t589, t59, t595, t596, t6, t601, t603, t613, t62, t625, t64, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: +note: 't946' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 1135 | *t841 - t187*t851 + 1858 | *t321*t953*t1625 | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:700:77: - - 700 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: +Warning: 't941' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:76: - 1165 | *t389*t573*t748 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:700:54: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't941' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1844:31: - 700 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: + 1844 | t3682 = t24*t940 + | ^ +Warning: 't940' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:70: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:699:70: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't940' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70: - 699 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & + 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:64: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:699:29: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 699 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: + 1866 | *t339*t969 + | ^ +Warning: 't930' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:59: - 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ -Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:95: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't930' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2418:50: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't490' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: + 2418 | t5562 = 0.5866666667e2_dp*t93*t4820 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:53: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:84: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't489' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1188:32: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't929' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:48: - 1188 | t1019 = t488*t202 - | ^ -Warning: 't488' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:78: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't929' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't488' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: + 1894 | *t165*t3865*t237 + | ^ +Warning: 't922' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:30: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:72: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't922' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:597:30: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't485' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 597 | t309 = t308*t92 + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:24: - 1197 | + t489)*sc - | ^ -Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:66: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't92' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't482' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1104:47: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't918' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:19: - 1104 | t732 = t48**(-0.1666666667e1_dp) - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:60: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't918' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: +Warning: 't914' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:13: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:55: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^ +note: 't914' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't479' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't907' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:94: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:49: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't907' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't475' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't906' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:88: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:43: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't906' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1190:39: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't472' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: + 1190 | t1640 = 0.1e1_dp/t787/t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:76: - 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ -Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:37: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't471' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1177:40: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't897' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:72: - 1177 | t984 = 0.2e1_dp*t470*t202 - | ^ -Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:31: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't897' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't470' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't893' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:60: - 1197 | + t489)*sc - | ^ -Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:25: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't893' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't467' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't886' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:48: - 1197 | + t489)*sc - | ^ -Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:19: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't886' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't882' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:42: - 1197 | + t489)*sc - | ^ -Warning: 't461' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:13: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't882' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^ -note: 't461' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 750 | *t615 - 0.20e1_dp*t102*t646 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:30: - 1197 | + t489)*sc - | ^ -Warning: 't458' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:91: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't458' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't878' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:25: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:73: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't878' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't452' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1178:31: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't874' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:13: - 1178 | t986 = t212*t451 - | ^ -Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:67: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^ +note: 't874' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't451' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1101:47: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:93: - 1101 | t721 = t45**(-0.1666666667e1_dp) - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:61: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't866' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:82: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:56: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't866' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1815:56: - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + 1815 | - 0.5000000001e0_dp*t60*t865*t709 | ^ -note: 't443' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't442' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:50: - - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't442' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:39: - - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't437' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:33: - - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't434' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:27: - - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^ -note: 't433' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:816:31: - - 816 | t147 = t3 - t146 - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:71: - - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: +Warning: 't865' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:76: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:66: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't865' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ -note: 't429' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:60: - - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't428' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:54: +Warning: 't864' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:70: - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't427' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't864' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:48: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't863' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:64: - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't425' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't863' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:42: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:52: - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't424' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: - 1135 | *t841 - t187*t851 - | ^ -Warning: 't420' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:36: + 1976 | *t3382 + | ^ +Warning: 't859' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:47: - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't420' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:857:75: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't859' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1788:56: - 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:30: + 1788 | t3497 = 0.2400000000e2_dp*t473*t852*t1483 + | ^ +Warning: 't852' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:29: - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't852' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70: - 1135 | *t841 - t187*t851 - | ^ -Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:25: + 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:17: - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't413' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2670:54: - 1135 | *t841 - t187*t851 - | ^ -Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:19: + 2670 | t6213 = 0.3333333336e0_dp*t55*t84*t5122 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:12: - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^ -note: 't412' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1110:31: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 1110 | t758 = t509*t407 - | ^ -Warning: 't407' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:95: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:94: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't407' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1115:41: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't833' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2655:37: - 1115 | t800 = t500/t405/t178*t798 - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:89: + 2655 | t6175 = t83*t597*t1688 + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:88: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't405' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 1165 | *t389*t573*t748 - | ^ -Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:83: + 1784 | t165*t171*t3449 + | ^ +Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:83: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -note: 't404' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: +note: 't827' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 1165 | *t389*t573*t748 - | ^ -Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:77: + 1911 | *t400*t1333*t1410 + | ^ +Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:71: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't403' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1137:35: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't822' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 1137 | t863 = 0.1e1_dp/t400 - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:65: + 1784 | t165*t171*t3449 + | ^ +Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:65: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -note: 't400' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1060:46: +note: 't815' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 1060 | t613 = t4**(-0.2333333333e1_dp) - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:59: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:59: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - - 1165 | *t389*t573*t748 - | ^ -Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:49: +note: 't804' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't394' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't801' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:53: - 1165 | *t389*t573*t748 - | ^ -Warning: 't390' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:37: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't801' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't390' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't800' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:47: - 1165 | *t389*t573*t748 - | ^ -Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:31: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't800' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't389' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:41: - 1165 | *t389*t573*t748 - | ^ -Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:19: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't382' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 1765 | t12*t1058 + | ^ +Warning: 't797' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:37: - 1165 | *t389*t573*t748 + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -Warning: 't381' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:13: - - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^ -note: 't381' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: +note: 't797' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1165 | *t389*t573*t748 - | ^ -Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:95: + 714 | t46*t541))*sx + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:95: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ -note: 't380' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: +note: 't79' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2108:42: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:89: + 2108 | t4721 = 0.1e1_dp/t787*t2480 + | ^ +Warning: 't787' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:90: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't787' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: - 1165 | *t389*t573*t748 - | ^ -Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:84: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't786' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:84: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ -note: 't377' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - - 1165 | *t389*t573*t748 - | ^ -Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:78: - - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't376' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: +note: 't786' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: - 1165 | *t389*t573*t748 - | ^ -Warning: 't373' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:72: + 1765 | t12*t1058 + | ^ +Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:72: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ -note: 't373' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1128:62: +note: 't782' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 1128 | *t368*t509 - 0.9531842928e0_dp*t162*t522 - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:66: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:66: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ -note: 't368' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1125:31: +note: 't78' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1899:32: - 1125 | t838 = t365*t165 - | ^ -Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:60: + 1899 | t3925 = t777*t561 + | ^ +Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:61: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't365' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't777' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1771:57: - 1165 | *t389*t573*t748 - | ^ -Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:54: + 1771 | *t102*t3363 - 0.20e1_dp*t102*t3379 + | ^ +Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:49: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't364' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't773' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 1165 | *t389*t573*t748 - | ^ -Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:48: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't772' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:43: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^ -note: 't363' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^ +note: 't772' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 1165 | *t389*t573*t748 - | ^ -Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:37: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't769' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:37: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ -note: 't357' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: +note: 't769' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1771:57: - 1165 | *t389*t573*t748 - | ^ -Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:31: + 1771 | *t102*t3363 - 0.20e1_dp*t102*t3379 + | ^ +Warning: 't766' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:31: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ -note: 't356' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1119:31: +note: 't766' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 1119 | t810 = t353*t509 - | ^ -Warning: 't353' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:19: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:19: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ -note: 't353' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: +note: 't764' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 1197 | + t489)*sc - | ^ -Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:13: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't754' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:13: - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ -note: 't352' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: - - 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ -Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:96: +note: 't754' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 2099 | t3869 + t4657 + t4696) | ^ -note: 't351' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: +Warning: 't753' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:95: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:90: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't753' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2113:55: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't350' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1105:31: + 2113 | t4732 = 0.6666666672e0_dp*t747*t84*t4729 + | ^ +Warning: 't747' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:89: - 1105 | t743 = t349*t202 - | ^ -Warning: 't349' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:84: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't747' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't349' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: + 2020 | *t429*t1928*t290 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:83: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:78: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1220:31: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 1220 | t1694 = t45*t739 + | ^ +Warning: 't739' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:78: + + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't346' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: +note: 't739' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:72: + 2020 | *t429*t1928*t290 + | ^ +Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:72: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't343' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: +note: 't735' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2608:33: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:66: + 2608 | t6053 = t732*t6052 + | ^ +Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:66: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't342' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: +note: 't732' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:46: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:60: + 2578 | - t5973 + t5975 - t5977 + | ^ +Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:60: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't339' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: +note: 't729' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ -Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:54: + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:54: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't337' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: +note: 't728' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2615:33: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:48: + 2615 | t6075 = t723*t6052 + | ^ +Warning: 't723' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:48: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't334' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: +note: 't723' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:54: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:42: + 2786 | + t5949 + t5952 + t5954 - t5958 + | ^ +Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:42: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't333' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: +note: 't722' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2586:33: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:36: + 2586 | t6006 = t719*t1838 + | ^ +Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:36: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't332' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: +note: 't719' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2294:90: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:30: + 2294 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 + | ^ +Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:30: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't325' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: +note: 't716' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1232:31: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't324' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:24: + 1232 | t1715 = t713*t67 + | ^ +Warning: 't713' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:24: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't324' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: +note: 't713' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:18: + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't710' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:18: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: +note: 't710' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2801:60: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:13: + 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:12: - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^ -note: 't319' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:94: + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't709' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:93: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't316' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't709' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2294:90: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:88: + 2294 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 + | ^ +Warning: 't708' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:87: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't315' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't708' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2294:90: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:82: + 2294 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 + | ^ +Warning: 't707' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:81: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't311' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't707' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2540:37: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't310' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:76: + 2540 | t5898 = t705*t1504*t65 + | ^ +Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:75: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't310' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't705' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:70: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:69: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't309' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't70' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1174:29: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:64: + 1174 | t1616 = t7*t23 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:64: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ -note: 't307' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: +note: 't7' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1680:30: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:58: + 1680 | t3097 = t66*t69 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:60: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't306' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34: - 1072 | *t531 - t130*t549 - | ^ -Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:52: + 1932 | t1292*t1829 + | ^ +Warning: 't689' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:55: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't302' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:816:31: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't689' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2454:59: - 816 | t147 = t3 - t146 - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:46: + 2454 | t5657 = 0.5000000000e0_dp*t405*t68*t5122*t17 + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:49: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2136:73: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:42: + 2136 | *t165*t166*t4729 + 0.3333333334e0_dp*t55*t57*t4782 + | ^ +Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:44: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't299' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't679' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't296' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:36: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't673' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:38: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't296' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1064:31: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't673' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: - 1064 | t693 = t295*t508 - | ^ -Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:30: + 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) + | ^ +Warning: 't672' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:32: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't295' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^ +note: 't672' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2628:83: - 1072 | *t531 - t130*t549 - | ^ -Warning: 't292' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:24: + 2628 | + t6079) - t6087 - t6090 + | ^ +Warning: 't668' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:76: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't292' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: + 391 | t6603, t6611, t6620, t6621, t6630, t6640, t6658, t6665, t6669, t668 + | ^ +note: 't668' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 1072 | *t531 - t130*t549 - | ^ -Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:18: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:92: - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^ -note: 't291' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1055:31: + 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38: - 1055 | t589 = t509*t286 - | ^ -Warning: 't286' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:90: + 2643 | t6141 = t658*t575*t1925 + | ^ +Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:73: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't286' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1059:41: + 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & + | ^ +note: 't658' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1377:63: - 1059 | t603 = t500/t284/t119*t601 - | ^ -Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:84: + 1377 | t1708 - 0.2222222224e0_dp*t144*t46*t2002 + | ^ +Warning: 't653' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:33: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't284' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & + | ^ +note: 't653' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1377:63: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:78: + 1377 | t1708 - 0.2222222224e0_dp*t144*t46*t2002 + | ^ +Warning: 't650' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:13: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't283' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & + | ^ +note: 't650' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2815:37: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:72: + 2815 | *t6075 - t6078 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:93: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't282' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1056:29: + 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: - 1056 | t595 = t279**2 - | ^ -Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:60: + 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) + | ^ +Warning: 't649' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:74: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't279' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & + | ^ +note: 't649' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:48: + 2260 | *t105*t5118 + | ^ +Warning: 't646' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:54: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't273' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: + 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & + | ^ +note: 't646' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 1072 | *t531 - t130*t549 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:36: + 1866 | *t339*t969 + | ^ +Warning: 't645' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:41: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & + | ^ +note: 't645' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: - 1099 | *bp*t625*t565*t559 + 2726 | *t1054*t640*t3679 | ^ -Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:31: +Warning: 't640' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:88: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't269' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & + | ^ +note: 't640' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:25: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't637' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:47: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't268' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & + | ^ +note: 't637' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:13: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:20: - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^ -note: 't261' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & + | ^ +note: 't635' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:97: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't628' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:40: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't260' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1062:39: + 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & + | ^ +note: 't628' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 1062 | t665 = t26**(-0.40e1_dp) - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:91: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:27: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & + | ^ +note: 't627' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2429:56: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:86: + 2429 | t5590 = 0.80e1_dp*t624*t22*t326*t136*t233 + | ^ +Warning: 't624' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:386:41: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't259' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 386 | t6219, t6222, t6223, t6227, t624, t6247, t6249, t6252, t6253, t6256, t6257, t6260, t6263, & + | ^ +note: 't624' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2801:60: - 1165 | *t389*t573*t748 - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:80: + 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 + | ^ +Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:385:61: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't258' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 385 | REAL(KIND=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, & + | ^ +note: 't62' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:74: + 2260 | *t105*t5118 + | ^ +Warning: 't615' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:383:96: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't255' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & + | ^ +note: 't615' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:68: + 1866 | *t339*t969 + | ^ +Warning: 't614' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:383:76: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't254' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & + | ^ +note: 't614' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:62: + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:73: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't251' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1047:62: + 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 1047 | *t246*t509 - 0.9531842928e0_dp*t102*t522 - | ^ -Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:51: + 2260 | *t105*t5118 + | ^ +Warning: 't609' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:40: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't246' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & + | ^ +note: 't609' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 1135 | *t841 - t187*t851 + 1858 | *t321*t953*t1625 | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:45: - - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^ -note: 't245' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:27: +Warning: 't608' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:27: - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & | ^ -note: 't241' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1043:49: - - 1043 | t538 = 0.1211413728e1_dp*t240*t508 - | ^ -Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:72: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't240' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:66: +note: 't608' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1040:31: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:381:34: - 1040 | t528 = t237*t105 - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:61: + 381 | t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & + | ^ +note: 't605' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2538:37: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't237' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 2538 | t5888 = t60*t1836*t709 + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:64: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:55: + 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & + | ^ +note: 't60' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1464:35: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't236' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 1464 | t2220 = beta*t785*t6 + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:59: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:49: + 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1131:49: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + 1131 | t1543 = 0.3333333336e0_dp*t55*t598 | ^ -note: 't235' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1121:31: +Warning: 't598' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:27: - 1121 | t820 = t231*t165 - | ^ -Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:43: + 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & + | ^ +note: 't598' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2338:54: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't231' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 2338 | t5357 = 0.6666666672e0_dp*t55*t597*t649 + | ^ +Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:378:76: - 1197 | + t489)*sc - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:37: + 378 | REAL(KIND=dp) :: t5954, t5956, t5958, t5960, t5963, t5964, t5966, t597, t5971, t5973, t5975, & + | ^ +note: 't597' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't230' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) + | ^ +Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:377:20: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:31: + 377 | t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 + | ^ +note: 't593' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1379:77: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't226' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 1379 | *t43*t1536 + t8*t2006)*sx + | ^ +Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:32: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:25: + 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & + | ^ +note: 't590' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:54: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't225' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1117:31: + 2786 | + t5949 + t5952 + t5954 - t5958 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:26: - 1117 | t807 = t222*t165 - | ^ -Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:13: + 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2146:60: - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^ -note: 't222' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 2146 | t4812 = 0.1333333334e1_dp*t217*t46*t589*t1447 + | ^ +Warning: 't589' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:375:97: - 1197 | + t489)*sc - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:94: + 375 | t5850, t5854, t5857, t5861, t5864, t5868, t5869, t5875, t5880, t5881, t5885, t5888, t589, & + | ^ +note: 't589' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't221' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1026:39: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't585' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:374:97: - 1026 | t499 = 0.1e1_dp/t220/t90 - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:88: + 374 | t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & + | ^ +note: 't585' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2124:29: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't220' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1033:31: + 2124 | t4768 = t58**2 + | ^ +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:53: - 1033 | t510 = t217*t509 - | ^ -Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:70: + 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & + | ^ +note: 't58' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1272:32: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't217' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1118:36: + 1272 | t1785 = t579*t515 + | ^ +Warning: 't579' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:27: - 1118 | t808 = t216*t160*t807 - | ^ -Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:64: + 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & + | ^ +note: 't579' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't216' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1020:102: + 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 + | ^ +Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:372:34: - 1020 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:58: + 372 | t5742, t5745, t5749, t575, t5752, t5756, t5760, t5767, t5770, t5773, t5776, t5780, t5783, & + | ^ +note: 't575' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1824:29: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't213' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1178:31: + 1824 | *t3576 + | ^ +Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:370:67: - 1178 | t986 = t212*t451 - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:52: + 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 + | ^ +note: 't57' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't212' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: + 2710 | t5011 + t5001 + | ^ +Warning: 't569' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:370:27: - 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc - | ^ -Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:41: + 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 + | ^ +note: 't569' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2136:73: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't209' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 2136 | *t165*t166*t4729 + 0.3333333334e0_dp*t55*t57*t4782 + | ^ +Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:369:54: - 1197 | + t489)*sc - | ^ -Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:35: + 369 | t5657, t566, t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, & + | ^ +note: 't567' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't206' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:998:102: + 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) + | ^ +Warning: 't561' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:367:67: - 998 | e_aa(ip) = e_aa(ip) + ((t332 + t350 + t352 + t452)*t2 + t455 + 0.2e1_dp*t155 + t457)*sc - | ^ -Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:29: + 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & + | ^ +note: 't561' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't203' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: + 1932 | t1292*t1829 + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:367:33: - 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc - | ^ -Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:23: + 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & + | ^ +note: 't56' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't202' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:857:75: + 2260 | *t105*t5118 + | ^ +Warning: 't558' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:75: - 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:17: +note: 't558' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2722:79: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 2722 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 + | ^ +Warning: 't557' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:41: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:13: + 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & + | ^ +note: 't557' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^ -note: 't194' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't550' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:364:32: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:96: + 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & + | ^ +note: 't550' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2313:55: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't193' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:993:67: + 2313 | t5301 = 0.3333333336e0_dp*t55*t384*t4729 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:364:26: - 993 | *t443*t408)*t80) - t332 - | ^ -Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:90: + 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:930:31: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + 930 | t1071 = t45*t541 + | ^ +Warning: 't541' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:360:90: + + 360 | t5373, t5376, t5379, t5383, t5386, t5389, t5397, t5400, t5402, t5406, t5409, t541, t5412, & | ^ -note: 't191' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: +note: 't541' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:84: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:359:83: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't190' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 359 | t5342, t5343, t5345, t5347, t5351, t5354, t5357, t5360, t5363, t5367, t537, t5370, t5371, & + | ^ +note: 't537' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:76: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:73: + 2554 | *t4898*t172 - 0.1000000000e1_dp*t5918 - t5922 + t5925 + | ^ +Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:358:97: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't189' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + 358 | t5311, t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, & + | ^ +note: 't534' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:46: - 1135 | *t841 - t187*t851 - | ^ -Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:67: + 2578 | - t5973 + t5975 - t5977 + | ^ +Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:94: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't187' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & + | ^ +note: 't531' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 1135 | *t841 - t187*t851 - | ^ -Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:61: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:60: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't184' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1136:31: + 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & + | ^ +note: 't530' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: - 1136 | t860 = t509*t179 - | ^ -Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:43: + 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 + | ^ +Warning: 't527' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:33: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't179' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1115:41: + 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 + | ^ +note: 't527' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:76: - 1115 | t800 = t500/t405/t178*t798 - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:37: + 2554 | *t4898*t172 - 0.1000000000e1_dp*t5918 - t5922 + t5925 + | ^ +Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:20: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't178' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1114:29: + 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 + | ^ +note: 't526' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: - 1114 | t798 = t176**2 - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:31: + 2621 | *t6075 - t6078 + | ^ +Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:46: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't176' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & + | ^ +note: 't520' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:76: - 1165 | *t389*t573*t748 - | ^ -Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:25: + 2554 | *t4898*t172 - 0.1000000000e1_dp*t5918 - t5922 + t5925 + | ^ +Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:26: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't175' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & + | ^ +note: 't517' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 1165 | *t389*t573*t748 + 1955 | *t58*t3796*t71 | ^ -Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:19: +Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:13: - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^ -note: 't174' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1138:40: + 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & + | ^ +note: 't516' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2547:56: - 1138 | t872 = 0.1e1_dp/t400/t172 - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:95: + 2547 | t5922 = 0.1111111112e0_dp*t4776*t515*t517 + | ^ +Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:95: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & | ^ -note: 't172' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: +note: 't515' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: - 1165 | *t389*t573*t748 - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:89: + 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 + | ^ +Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:47: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't169' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & + | ^ +note: 't512' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:985:32: - 1165 | *t389*t573*t748 - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:83: + 985 | t1213 = t511*t225 + | ^ +Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:27: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't168' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & + | ^ +note: 't511' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2609:52: - 1165 | *t389*t573*t748 - | ^ -Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:77: + 2609 | t6056 = 0.5555555558e-1_dp*t508*t5271 + | ^ +Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:353:83: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't165' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1128:62: + 353 | t5040, t5043, t5044, t5047, t5050, t5051, t5060, t5065, t5069, t5079, t508, t5083, t5087, & + | ^ +note: 't508' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 1128 | *t368*t509 - 0.9531842928e0_dp*t162*t522 - | ^ -Warning: 't162' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:71: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't503' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:352:76: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't162' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 352 | t5009, t5011, t5013, t5016, t5019, t5022, t5025, t5028, t5029, t503, t5032, t5035, t5036, & + | ^ +note: 't503' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:941:31: - 1165 | *t389*t573*t748 - | ^ -Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:65: + 941 | t1106 = t500*t67 + | ^ +Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:65: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & | ^ -note: 't161' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1118:36: +note: 't500' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 1118 | t808 = t216*t160*t807 - | ^ -Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:59: + 1784 | t165*t171*t3449 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:59: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & | ^ -note: 't160' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:899:39: - - 899 | t281 = 0.1e1_dp/t279/t16 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:53: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1123:29: - - 1123 | t835 = t159**2 - | ^ -Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:48: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't159' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: +note: 't50' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1942:33: - 1165 | *t389*t573*t748 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:42: + 1942 | t4101 = t498*t1505 + | ^ +Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:40: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't156' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:998:102: + 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & + | ^ +note: 't498' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 998 | e_aa(ip) = e_aa(ip) + ((t332 + t350 + t352 + t452)*t2 + t455 + 0.2e1_dp*t155 + t457)*sc - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:36: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:34: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1106:31: + 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & + | ^ +note: 't496' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65: - 1106 | t745 = t154*t451 - | ^ -Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:30: + 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:348:74: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't154' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: + 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2526:56: - 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:24: + 2526 | t5854 = 0.1200000000e2_dp*t473*t489*t5371 + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:348:41: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & + | ^ +note: 't489' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1450:39: - 1197 | + t489)*sc - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:18: + 1450 | t2147 = lambda*t48*omega + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:346:19: - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^ -note: 't150' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 346 | t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2514:56: - 1197 | + t489)*sc - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:96: + 2514 | t5825 = 0.1200000000e2_dp*t473*t479*t5009 + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:75: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't147' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: + 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & + | ^ +note: 't479' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39: - 1197 | + t489)*sc - | ^ -Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:84: + 2175 | t4895 = t478*t1500*t4729 + | ^ +Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:48: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't145' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:998:102: + 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & + | ^ +note: 't478' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: - 998 | e_aa(ip) = e_aa(ip) + ((t332 + t350 + t352 + t452)*t2 + t455 + 0.2e1_dp*t155 + t457)*sc - | ^ -Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:78: + 1976 | *t3382 + | ^ +Warning: 't474' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:344:55: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't144' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 344 | t4732, t4733, t4734, t4736, t4738, t4739, t474, t4743, t4744, t4748, t4760, t4764, t4768, & + | ^ +note: 't474' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2698:45: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:67: + 2698 | *t4901 - t4907 + t4911 + | ^ +Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:95: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't137' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & + | ^ +note: 't473' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2601:56: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:61: + 2601 | t6036 = 0.2250000000e2_dp*t498*t472*t4905 + | ^ +Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:61: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:55: +note: 't472' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2635:61: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 2635 | t6116 = 0.3600000000e2_dp*t1971*t471*t20*t5713 + | ^ +Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:34: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:49: + 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & + | ^ +note: 't471' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1018:40: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + 1018 | t1300 = 0.1e1_dp/t41/t470 + | ^ +Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:45: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:43: + 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 + | ^ +note: 't470' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1381:36: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: + 1381 | t2013 = t566*t149*t47 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:39: - 1072 | *t531 - t130*t549 + 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:37: +note: 't47' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2503:57: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + 2503 | t5792 = 0.2777777778e-1_dp*t429*t466*t5002 + | ^ +Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:27: - 1149 | - 0.1588640487e1_dp*t437*t860 - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:31: + 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 + | ^ +note: 't466' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1065:31: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:97: - 1065 | t696 = t126*t221 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:25: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^ +note: 't462' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1449:85: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: + 1449 | *t43*t46*t2046 + t8*t2143)*sx + | ^ +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:84: - 1072 | *t531 - t130*t549 - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:19: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1054:31: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:58: - 1054 | t583 = t522*t120 - | ^ -Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:91: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^ +note: 't455' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2489:88: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't120' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1059:41: + 2489 | - 0.1666666667e0_dp*t5724 + t5728 + t5731 - t5734 - t5738 + t5741 + | ^ +Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:38: - 1059 | t603 = t500/t284/t119*t601 - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:85: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^ +note: 't451' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1058:29: + 1053 | *t237 + | ^ +Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:25: - 1058 | t601 = t117**2 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:79: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^ +note: 't450' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:84: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:73: + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + | ^ +note: 't446' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2644:38: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 2644 | t6144 = t445*t4512*t668 + | ^ +Warning: 't445' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:78: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:67: + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + | ^ +note: 't445' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1598:33: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1049:40: + 1598 | t2763 = t1367*t444 + | ^ +Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:72: - 1049 | t563 = 0.1e1_dp/t279/t113 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:55: + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + | ^ +note: 't444' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2497:57: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 2497 | t5773 = 0.1250000000e0_dp*t1368*t437*t5163 + | ^ +Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:40: - 1099 | *bp*t625*t565*t559 + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:49: +note: 't437' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2628:83: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: + 2628 | + t6079) - t6087 - t6090 + | ^ +Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:20: - 1072 | *t531 - t130*t549 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:43: + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + | ^ +note: 't433' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:92: - 1165 | *t389*t573*t748 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:38: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2642:38: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + 2642 | t6138 = t429*t1928*t593 | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:32: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: +Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:80: - 1083 | t133*t10 + 0.2e1_dp*t307*t105 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:26: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^ +note: 't429' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1749:30: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1047:62: + 1749 | t3305 = t4*t428 + | ^ +Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:74: - 1047 | *t246*t509 - 0.9531842928e0_dp*t102*t522 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:13: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^ +note: 't428' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) + | ^ +Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:40: - 1135 | *t841 - t187*t851 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:683:85: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^ +note: 't425' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 683 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:34: - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:683:73: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^ +note: 't424' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:637:31: - 683 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5671:94: + 637 | t383 = t42*omega + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:97: - 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) - | ^ -Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:76: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2456:56: - 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^ -note: 'dqrho' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5671:94: + 2456 | t5663 = 0.1500000000e1_dp*t400*t417*t5371 + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:92: - 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) - | ^ -Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:69: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^ +note: 't417' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^ -note: 'dqndrho' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5153:97: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:72: - 5153 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx - | ^ -Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4562:36: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^ +note: 't413' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:791:38: - 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & - | ^ -note: 't545' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 791 | t747 = lambda*t41*omega + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:52: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4562:24: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2469:56: - 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & - | ^ -note: 't540' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 2469 | t5695 = 0.7500000000e0_dp*t400*t406*t5009 + | ^ +Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:33: - 5183 | *t421*t422*t1533 + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & | ^ -Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4562:13: - - 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & - | ^ -note: 't539' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: +note: 't406' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't533' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:88: + 1524 | *t1368*t166*t2160 + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:27: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't533' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5202:132: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^ +note: 't405' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 5202 | *t155*t44*t772) - | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:82: + 1924 | t1320*t1483 + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:82: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ -note: 't530' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: +note: 't401' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2450:38: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:76: + 2450 | t5643 = t400*t3975*t561 + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:76: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ -note: 't526' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: +note: 't400' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1649:41: - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ -Warning: 't522' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:70: + 1649 | t2992 = 0.1e1_dp/t1140/t40 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:70: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ -note: 't522' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ -Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:64: - - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't519' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ -Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:58: - - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't513' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ -Warning: 't510' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:52: +note: 't40' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1070:30: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't510' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: + 1070 | t1409 = t4*t164 + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:65: - 5152 | *t155*t44*t726 - | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:46: + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't505' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: + 1328 | t1912 = t399*t245 + | ^ +Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:61: - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:40: + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^ +note: 't399' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1036:33: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't501' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5109:26: + 1036 | t1367 = omega*t398 + | ^ +Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:48: - 5109 | t1288 = t864*t500 - | ^ -Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:34: + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^ +note: 't398' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1595:104: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't500' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: + 1595 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 + | ^ +Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:94: - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:24: + 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & + | ^ +note: 't394' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't498' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:74: - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:13: + 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & + | ^ +note: 't393' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't487' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5083:26: + 1647 | - 0.5000000001e0_dp*t429*t437*t914 + | ^ +Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:61: - 5083 | t1181 = t931*t486 - | ^ -Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:95: + 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & + | ^ +note: 't392' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't486' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: + 1063 | *t1397 + | ^ +Warning: 't387' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:27: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:89: + 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & + | ^ +note: 't387' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't484' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:33: - 5183 | *t421*t422*t1533 + 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 | ^ -Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:78: +note: 't384' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2328:51: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't478' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 2328 | t5335 = 0.2222222224e0_dp*t383*t5281 + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:27: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't476' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:66: + 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 + | ^ +note: 't383' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't476' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5128:26: + 1063 | *t1397 + | ^ +Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:97: - 5128 | t1382 = t136*t475 - | ^ -Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:60: + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^ +note: 't380' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2489:88: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't475' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5158:90: + 2489 | - 0.1666666667e0_dp*t5724 + t5728 + t5731 - t5734 - t5738 + t5741 + | ^ +Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:77: - 5158 | *t19 + 12._dp*g3*t1*t24*t32) - | ^ -Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:54: + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^ +note: 't379' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2439:54: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + 2439 | - t5602 + t5604 + t5607 + t5610 | ^ -note: 't473' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:48: +Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:64: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't472' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^ +note: 't376' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't469' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:42: + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ +Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:51: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't469' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^ +note: 't375' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't468' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:36: + 1213 | *t1681 + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:38: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't468' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^ +note: 't372' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:30: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:25: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't465' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^ +note: 't371' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:719:61: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:24: + 719 | t561 = 0.40e1_dp*t24*t37 - 0.20e1_dp*t102*t558 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:19: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:13: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:92: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't459' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^ +note: 't368' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:92: + 863 | t942 = t367*t306 + | ^ +Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:58: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't457' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5136:26: + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^ +note: 't367' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2393:38: - 5136 | t1413 = t140*t456 - | ^ -Warning: 't456' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:86: + 2393 | t5496 = t366*t368*t1681 + | ^ +Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:45: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't456' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5161:111: + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^ +note: 't366' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) - | ^ -Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:80: + 1551 | *t2565*t796 + | ^ +Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:39: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't454' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^ +note: 't365' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't453' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:74: + 1213 | *t1681 + | ^ +Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:33: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't453' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^ +note: 't362' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2395:58: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:68: + 2395 | t5503 = 0.180e2_dp*t5106*t360*t371*my_ndrho + | ^ +Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:13: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't450' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5075:64: + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^ +note: 't360' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85: - 5075 | - t80*(t1074 + t1118)*Clda)*sx - | ^ -Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:62: + 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:94: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't444' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: + 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 5152 | *t155*t44*t726 - | ^ -Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:45: + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 + | ^ +Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:61: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't439' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & + | ^ +note: 't357' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:906:35: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't438' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:39: + 906 | t1002*my_rho + | ^ +Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:41: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't438' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5049:27: + 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & + | ^ +note: 't356' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: - 5049 | t1049 = t437*t1048 - | ^ -Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:33: + 1213 | *t1681 + | ^ +Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:73: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't437' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & + | ^ +note: 't352' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:27: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:25: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't435' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & + | ^ +note: 't350' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1560:40: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:78: + 1560 | t2585 = 0.1e1_dp/t972/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:19: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't434' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5046:30: + 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 5046 | t1040 = t75/t433/t160 - | ^ -Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:72: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:72: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & | ^ -note: 't433' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:60: +note: 't347' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't428' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + 1213 | *t1681 + | ^ +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:52: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:54: + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^ +note: 't343' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + 1842 | + 0.3200000000e2_dp*t1055*t3674 | ^ -note: 't427' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't426' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:48: +Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:46: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't426' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^ +note: 't342' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 5152 | *t155*t44*t726 - | ^ -Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:42: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:40: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't423' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^ +note: 't341' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 5152 | *t155*t44*t726 - | ^ -Warning: 't422' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:36: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:34: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't422' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^ +note: 't339' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1189:49: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:30: + 1189 | t1638 = 0.1200000000e3_dp*t24*t336 + | ^ +Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:76: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't421' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5052:26: + 329 | REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & + | ^ +note: 't336' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1203:79: - 5052 | t1071 = t330*t420 - | ^ -Warning: 't420' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:24: + 1203 | t1667 = 0.28e2_dp/0.3e1_dp*t332 - 0.28e2_dp/0.3e1_dp*t987*my_rho + | ^ +Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:80: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't420' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^ +note: 't332' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1748:63: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:13: + 1748 | e_rho_rho_rho(ii) = e_rho_rho_rho(ii) + t3291*sx + | ^ +Warning: 't3291' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:53: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't417' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5062:107: + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^ +note: 't3291' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1217:69: - 5062 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) - | ^ -Warning: 't415' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:93: + 1217 | + t1628 - t1630 + t1634 - 0.20e1_dp*t102*t1685 + | ^ +Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:46: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't415' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^ +note: 't329' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:87: + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ +Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:33: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't412' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^ +note: 't328' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1882:32: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't410' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:81: + 1882 | t3842 = t3278*t46 + | ^ +Warning: 't3278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:27: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't410' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5142:58: + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^ +note: 't3278' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) - | ^ -Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:70: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:20: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't406' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5189:80: + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^ +note: 't327' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1933:32: - 5189 | *t367*t405*t1552) - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:64: + 1933 | t4025 = t3262*t57 + | ^ +Warning: 't3262' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:85: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't405' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5142:58: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^ +note: 't3262' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2429:56: - 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:58: + 2429 | t5590 = 0.80e1_dp*t624*t22*t326*t136*t233 + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:78: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't402' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5041:24: - - 5041 | *(t872) - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:52: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^ +note: 't326' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't401' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5041:24: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't3248' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:72: - 5041 | *(t872) - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:46: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^ +note: 't3248' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't400' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5135:65: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't3244' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:65: - 5135 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ -Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:36: +note: 't3244' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:64: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't394' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5196:67: + 2425 | - 0.80e1_dp*t5565 + t5568 + t5572 + t5574 + | ^ +Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:51: - 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:30: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^ +note: 't322' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2383:57: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't393' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5135:65: + 2383 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:45: - 5135 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) - | ^ -Warning: 't390' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:24: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^ +note: 't321' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1217:69: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't390' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + 1217 | + t1628 - t1630 + t1634 - 0.20e1_dp*t102*t1685 + | ^ +Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:32: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:13: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^ +note: 't318' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't389' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5041:24: + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ +Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:26: - 5041 | *(t872) - | ^ -Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:95: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^ +note: 't317' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2376:56: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't388' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: + 2376 | t5459 = 0.5333333333e1_dp*t321*t316*t5118 + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:20: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:89: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^ +note: 't316' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't382' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: + 2382 | - t5462 + t5466 - t5468 + | ^ +Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:91: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:78: + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^ +note: 't313' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:78: + + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ -note: 't379' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: +note: 't311' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:72: + 1551 | *t2565*t796 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:72: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ -note: 't375' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4999:25: - - 4999 | t865 = t864*t374 - | ^ -Warning: 't374' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:66: - - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't374' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: +note: 't31' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't373' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:60: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't3097' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:60: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ -note: 't373' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:54: - - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't372' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't369' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:48: - - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't369' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4996:116: - - 4996 | *t807) - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:42: - - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't368' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: - - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:36: - - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't367' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4996:116: - - 4996 | *t807) - | ^ -Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:30: - - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't360' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: +note: 't3097' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:891:40: - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:19: + 891 | t1002 = 0.1e1_dp/t19/t309 + | ^ +Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:46: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't359' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4996:116: + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^ +note: 't309' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:901:31: - 4996 | *t807) - | ^ -Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:13: + 901 | t1033 = t308*t12 + | ^ +Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:33: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't355' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^ +note: 't308' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2436:56: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:95: + 2436 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 + | ^ +Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:20: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't352' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^ +note: 't307' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: - 5152 | *t155*t44*t726 + 863 | t942 = t367*t306 | ^ -Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:89: +Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:92: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't351' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4996:116: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^ +note: 't306' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 4996 | *t807) - | ^ -Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:83: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't3030' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:86: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't350' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^ +note: 't3030' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:72: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:72: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ -note: 't346' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5050:31: +note: 't302' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 5050 | t1065 = t106*t333*t345 - | ^ -Warning: 't345' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:66: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't2998' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:66: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ -note: 't345' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:60: +note: 't2998' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't342' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5023:23: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't2994' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:59: - 5023 | *(t939) - | ^ -Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:54: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^ +note: 't2994' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't341' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5196:67: + 2779 | *t6271 + | ^ +Warning: 't2992' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:52: - 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) - | ^ -Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:48: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^ +note: 't2992' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1217:69: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't340' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: + 1217 | + t1628 - t1630 + t1634 - 0.20e1_dp*t102*t1685 + | ^ +Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:45: - 5152 | *t155*t44*t726 - | ^ -Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:37: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^ +note: 't299' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2414:49: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't334' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: + 2414 | t5551 = 0.1280e3_dp*t24*t298*t1599 + | ^ +Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:39: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:31: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^ +note: 't298' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't333' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4969:33: + 1063 | *t1397 + | ^ +Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:33: - 4969 | t782 = 0.1e1_dp/t332/t82 + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ -Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:25: - - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't332' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5064:26: - - 5064 | t1089 = t330*t333 - | ^ -Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:13: - - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't330' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5024:25: - - 5024 | t956 = t136*t329 - | ^ -Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:95: - - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't329' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:89: - - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't327' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: - - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:83: - - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't326' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: +note: 't295' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2669:56: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:77: + 2669 | t6210 = 0.1666666668e0_dp*t289*t294*t5174 + | ^ +Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:27: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't321' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^ +note: 't294' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:66: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't2937' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:21: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't316' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^ +note: 't2937' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2363:29: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:60: + 2363 | *t5421 + | ^ +Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:94: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't313' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^ +note: 't290' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2657:38: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't310' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:54: + 2657 | t6181 = t289*t1564*t593 + | ^ +Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:88: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't310' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^ +note: 't289' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2344:39: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:43: + 2344 | t5373 = t2885*t446*t5371 + | ^ +Warning: 't2885' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:82: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't309' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^ +note: 't2885' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:37: + 1924 | t1320*t1483 + | ^ +Warning: 't2873' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:68: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't306' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^ +note: 't2873' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1067:96: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:31: + 1067 | t804 - 0.4444444448e0_dp*t43*t894 + t8*t1401)*sx + | ^ +Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:33: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't305' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^ +note: 't283' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't303' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:25: + 1911 | *t400*t1333*t1410 + | ^ +Warning: 't2823' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:27: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't303' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5028:25: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^ +note: 't2823' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: - 5028 | t985 = t140*t302 - | ^ -Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:19: + 2710 | t5011 + t5001 + | ^ +Warning: 't2821' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:20: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't302' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^ +note: 't2821' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2166:60: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:13: + 2166 | t4869 = 0.6666666672e0_dp*t217*t46*t282*t4729 + | ^ +Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:13: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ -note: 't300' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4989:132: - - 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) - | ^ -Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:89: - - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't299' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't296' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:83: - - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't296' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: +note: 't282' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:77: + 1911 | *t400*t1333*t1410 + | ^ +Warning: 't2808' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:87: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't293' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^ +note: 't2808' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:71: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:73: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't290' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4989:132: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^ +note: 't278' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2347:59: - 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) - | ^ -Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:60: + 2347 | t5383 = 0.4166666667e-1_dp*t2763*t1247*t5002 + | ^ +Warning: 't2763' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:60: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & | ^ -note: 't289' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: - - 5152 | *t155*t44*t726 - | ^ -Warning: 't286' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:54: - - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't286' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5153:97: +note: 't2763' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: - 5153 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx - | ^ -Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:48: + 2621 | *t6075 - t6078 + | ^ +Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:46: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't283' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^ +note: 't275' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1809:33: - 5183 | *t421*t422*t1533 + 1809 | t3569 = t274*t1505 | ^ -Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:42: +Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:40: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't281' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^ +note: 't274' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 4966 | t171*t752 - t210*t171*t769 - | ^ -Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:31: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't2720' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:20: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't279' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^ +note: 't2720' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: - 4966 | t171*t752 - t210*t171*t769 - | ^ -Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:25: + 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 + | ^ +Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:13: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't278' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^ +note: 't271' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 4956 | t171*t706 - t210*t171*t723 - | ^ -Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:19: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't2707' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:92: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't277' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^ +note: 't2707' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2493:59: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:13: + 2493 | t5756 = 0.1111111111e0_dp*t170*t27*t5276*t17 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:85: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't274' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:92: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:80: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't270' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^ +note: 't268' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:76: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:81: + 2554 | *t4898*t172 - 0.1000000000e1_dp*t5918 - t5922 + t5925 + | ^ +Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:74: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't269' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^ +note: 't267' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2583:63: - 4950 | t229) - (48._dp*t274*t235)) - | ^ + 2583 | t6000 = 0.9000000007e1_dp*t5262*t266*t4701*t4940 + | ^ Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:75: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:68: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^ note: 't266' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:69: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't2636' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:42: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't265' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^ +note: 't2636' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 4966 | t171*t752 - t210*t171*t769 + 2088 | *t83*t45*t3581*t140 | ^ -Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:63: +Warning: 't2631' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:28: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't263' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^ +note: 't2631' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1287:32: - 4956 | t171*t706 - t210*t171*t723 - | ^ + 1287 | t1821 = t472*t262 + | ^ Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:66: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^ note: 't262' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4943:24: - - 4943 | t667 = t14*t261 - | ^ -Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:51: - - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't261' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4945:72: - - 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:45: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2372:57: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't258' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4945:72: + 2372 | t5449 = 0.1173333333e3_dp*t307*t2611*t5065 + | ^ +Warning: 't2611' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:60: - 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) - | ^ -Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:39: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^ +note: 't2611' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2690:32: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't257' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: + 2690 | t6267 = t26*t1447 + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:47: - 4963 | + 30._dp*a5*t21*t54*t65) - | ^ -Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:33: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1859:33: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + 1859 | t3750 = t2585*t136 | ^ -note: 't256' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4945:72: - - 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) - | ^ -Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:27: - - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't253' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4945:72: - - 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) - | ^ -Warning: 't252' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:71: - - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't252' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: +Warning: 't2585' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:42: - 4956 | t171*t706 - t210*t171*t723 + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 | ^ -Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:60: - - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't249' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4946:24: - - 4946 | t700 = t248*t18 - | ^ -Warning: 't248' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:54: - - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't248' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5062:107: - - 5062 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) - | ^ -Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:48: - - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't246' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: +note: 't2585' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 | ^ -Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:36: - - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't240' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't239' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:25: +Warning: 't2565' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:21: - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't239' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^ +note: 't2565' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1833:32: - 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 - | ^ -Warning: 't238' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:19: + 1833 | t3668 = t2552*t23 + | ^ +Warning: 't2552' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:14: - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't238' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^ +note: 't2552' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:13: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't2537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:93: - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't235' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^ +note: 't2537' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't229' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:89: + 2234 | + t5032 + t5035 + | ^ +Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:86: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't229' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^ +note: 't250' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2489:88: - 4937 | /t12*t63)) - | ^ -Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:83: + 2489 | - 0.1666666667e0_dp*t5724 + t5728 + t5731 - t5734 - t5738 + t5741 + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:80: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't227' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't223' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:77: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't2492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:75: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't223' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^ +note: 't2492' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: - 4937 | /t12*t63)) - | ^ -Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:71: + 1524 | *t1368*t166*t2160 + | ^ +Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:68: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't222' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^ +note: 't249' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 4937 | /t12*t63)) + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:65: +Warning: 't2480' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:62: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't221' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^ +note: 't2480' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:59: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't2468' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:55: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't220' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^ +note: 't2468' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2383:57: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:48: + 2383 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 + | ^ +Warning: 't2455' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:48: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ -note: 't219' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - - 4937 | /t12*t63)) - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:42: - - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't213' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: - - 4963 | + 30._dp*a5*t21*t54*t65) - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:36: +note: 't2455' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't212' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4928:33: + 1328 | t1912 = t399*t245 + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:34: - 4928 | t618 = 0.1e1_dp/t211/t67 - | ^ -Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:30: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^ +note: 't245' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't211' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't2404' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:86: - 4956 | t171*t706 - t210*t171*t723 - | ^ -Warning: 't210' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:24: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^ +note: 't2404' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2414:49: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't210' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: + 2414 | t5551 = 0.1280e3_dp*t24*t298*t1599 + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:79: - 4956 | t171*t706 - t210*t171*t723 - | ^ -Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:94: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^ +note: 't24' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't208' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: + 2795 | *t5228*t2117*t2028 + | ^ +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:53: - 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:88: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^ +note: 't237' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2439:54: - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't207' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4904:24: + 2439 | - t5602 + t5604 + t5607 + t5610 + | ^ +Warning: 't234' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:33: - 4904 | t558 = t14*t206 - | ^ -Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:82: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^ +note: 't234' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2439:54: - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't206' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 2439 | - t5602 + t5604 + t5607 + t5610 + | ^ +Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:27: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:76: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^ +note: 't233' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1084:53: - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't203' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 1084 | + 0.8000000000e1_dp*t366*t1440 + | ^ +Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:53: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:66: + 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & + | ^ +note: 't230' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2398:38: - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't199' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4920:25: + 2398 | t5511 = t1680*t3673*t23 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:47: - 4920 | t599 = t198*t192 - | ^ -Warning: 't198' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:60: + 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ -note: 't198' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4925:64: - - 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) - | ^ -Warning: 't197' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:54: - - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't197' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:48: - - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't196' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5062:107: - - 5062 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) - | ^ -Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:42: - - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't195' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: +Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:92: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:19: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^ +note: 't225' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:888:40: - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't189' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4912:23: + 888 | t995 = 0.1e1_dp/t787/t224 + | ^ +Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:86: - 4912 | t576 = t4*t188 - | ^ -Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:13: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^ +note: 't224' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't188' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't2220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:59: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:95: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^ +note: 't2220' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1088:28: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't185' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4925:64: + 1088 | t1444 + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:52: - 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) - | ^ -Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:89: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^ +note: 't221' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't184' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: + 1551 | *t2565*t796 + | ^ +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:18: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:83: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^ +note: 't220' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ -note: 't183' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: - - 4956 | t171*t706 - t210*t171*t723 - | ^ -Warning: 't180' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:71: +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:12: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't180' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4989:132: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^ +note: 't22' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1193:32: - 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) - | ^ -Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:60: + 1193 | t1645 = beta*t219 + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:67: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't179' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: + 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & + | ^ +note: 't219' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:54: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't2182' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:47: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't178' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & + | ^ +note: 't2182' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 4937 | /t12*t63)) - | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:48: + 1551 | *t2565*t796 + | ^ +Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:40: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't177' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: + 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & + | ^ +note: 't218' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2165:42: - 4956 | t171*t706 - t210*t171*t723 + 2165 | t4864 = t217*t46*t1535*t561 | ^ -Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:36: - - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't174' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: +Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:34: - 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 - | ^ -Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:30: + 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & + | ^ +note: 't217' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2102:56: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't173' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: + 2102 | t4704 = 0.3333333336e0_dp*t2147*t84*t4701 + | ^ +Warning: 't2147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:62: - 4966 | t171*t752 - t210*t171*t769 - | ^ -Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:24: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't2147' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2137:55: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't171' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: + 2137 | t4789 = 0.4444444448e0_dp*t214*t46*t4786 + | ^ +Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:48: - 4956 | t171*t706 - t210*t171*t723 - | ^ -Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:18: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't214' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2739:79: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't170' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4906:27: + 2739 | *t6181 - t6185 + t6189 - t6192 - 0.3333333336e0_dp*t6194 + | ^ +Warning: 't2139' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:42: - 4906 | t563 = t4*t169*t14 - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:96: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't2139' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: - 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & - | ^ -note: 't169' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4783:24: + 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 + | ^ +Warning: 't2131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:28: - 4783 | t321 = t99*t196 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:86: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't2131' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: - 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: + 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + | ^ +Warning: 't2126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:14: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:69: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't2126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: - 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4782:24: + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't2124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:91: - 4782 | t316 = t96*t183 - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:52: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2124' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: - 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5142:58: + 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + | ^ +Warning: 't2118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:84: - 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:41: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2118' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: - 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 + 2795 | *t5228*t2117*t2028 | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - - 5183 | *t421*t422*t1533 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:30: +Warning: 't2117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:77: - 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4886:115: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2117' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: - 4886 | *t400*t519) + 0.3e1_dp/0.2e1_dp*(t400)*(t522))*t145 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:83: + 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + | ^ +Warning: 't2114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:70: - 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4791:22: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2114' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: - 4791 | t332 = t92**2 - | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:72: + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't2113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:63: - 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & - | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2113' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2801:60: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:61: + 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 + | ^ +Warning: 't2104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:49: - 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5030:29: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2104' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: - 5030 | t995 = t140*t90*t108 + 2779 | *t6271 | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:56: - - 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4932:32: - - 4932 | t632 = 0.1e1_dp/t9/t594 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:51: - - 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5161:111: - - 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:41: - - 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4770:24: - - 4770 | t293 = t179*t87 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:18: - - 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5161:111: +Warning: 't2099' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:42: - 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4568:62: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2099' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2294:90: - 4568 | t807, t81, t811, t812, t819, t82, t83, t84, t848, t85, t852, t862, t863, t864, t865, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: + 2294 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 + | ^ +Warning: 't2098' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:35: - 5116 | *t487 + t1205*t342 + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4568:51: +note: 't2098' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2698:45: - 4568 | t807, t81, t811, t812, t819, t82, t83, t84, t848, t85, t852, t862, t863, t864, t865, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4879:21: + 2698 | *t4901 - t4907 + t4911 + | ^ +Warning: 't2095' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:28: - 4879 | omega - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4568:46: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2095' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 4568 | t807, t81, t811, t812, t819, t82, t83, t84, t848, t85, t852, t862, t863, t864, t865, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4969:33: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't2088' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:21: - 4969 | t782 = 0.1e1_dp/t332/t82 - | ^ -Warning: 't82' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4568:41: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^ +note: 't2088' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 4568 | t807, t81, t811, t812, t819, t82, t83, t84, t848, t85, t852, t862, t863, t864, t865, & - | ^ -note: 't82' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4853:69: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't2082' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:97: - 4853 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t283*t167 - t80*t444)*sx - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4567:81: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2082' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2769:38: - 4567 | t774, t78, t782, t783, t784, t789, t792, t793, t794, t795, t799, t8, t80, t803, t804, & - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4919:27: + 2769 | - t6090 + t6094 + | ^ +Warning: 't2081' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:90: - 4919 | t597 = t24/t8/t594 - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4567:76: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2081' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 4567 | t774, t78, t782, t783, t784, t789, t792, t793, t794, t795, t799, t8, t80, t803, t804, & + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4968:22: +Warning: 't2077' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:83: - 4968 | t774 = t78**2 - | ^ -Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4567:18: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2077' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: - 4567 | t774, t78, t782, t783, t784, t789, t792, t793, t794, t795, t799, t8, t80, t803, t804, & - | ^ -note: 't78' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4843:24: + 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 + | ^ +Warning: 't2074' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:76: - 4843 | t435 = t75*t434 - | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4566:65: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2074' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 4566 | REAL(KIND=dp) :: t72, t723, t726, t728, t73, t74, t744, t75, t751, t752, t769, t77, t772, & - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:62: - 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 - | ^ -Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4566:49: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't207' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: - 4566 | REAL(KIND=dp) :: t72, t723, t726, t728, t73, t74, t744, t75, t751, t752, t769, t77, t772, & - | ^ -note: 't73' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4985:64: + 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 + | ^ +Warning: 't2061' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:56: - 4985 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t72*t219*t192 - | ^ -Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4566:26: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2061' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2732:78: - 4566 | REAL(KIND=dp) :: t72, t723, t726, t728, t73, t74, t744, t75, t751, t752, t769, t77, t772, & - | ^ -note: 't72' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4764:53: + 2732 | - t5595 + t5597 - t5600 - t5602 + t5604 + t5607 + t5610 + | ^ +Warning: 't2058' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:49: - 4764 | t281 = 2._dp*t249*t70 + t11*t263 - t210*t279 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4565:61: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2058' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2722:79: - 4565 | t657, t662, t664, t667, t67, t68, t69, t694, t7, t70, t700, t706, t71 - | ^ -note: 't70' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: + 2722 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 + | ^ +Warning: 't2057' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:42: - 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4565:46: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2057' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: - 4565 | t657, t662, t664, t667, t67, t68, t69, t694, t7, t70, t700, t706, t71 - | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5161:111: + 2726 | *t1054*t640*t3679 + | ^ +Warning: 't2054' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:35: - 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4565:41: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2054' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: - 4565 | t657, t662, t664, t667, t67, t68, t69, t694, t7, t70, t700, t706, t71 - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4928:33: + 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) + | ^ +Warning: 't2050' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:28: - 4928 | t618 = 0.1e1_dp/t211/t67 - | ^ -Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4565:36: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2050' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73: - 4565 | t657, t662, t664, t667, t67, t68, t69, t694, t7, t70, t700, t706, t71 - | ^ -note: 't67' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: + 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) + | ^ +Warning: 't2046' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:21: - 4963 | + 30._dp*a5*t21*t54*t65) - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4564:87: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2046' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: - 4564 | t60, t603, t607, t61, t610, t613, t616, t618, t619, t620, t623, t63, t632, t65, t655, & - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 + | ^ +Warning: 't2042' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:14: - 4937 | /t12*t63)) - | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4564:76: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^ +note: 't2042' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 4564 | t60, t603, t607, t61, t610, t613, t616, t618, t619, t620, t623, t63, t632, t65, t655, & + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - - 4937 | /t12*t63)) - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4564:29: - - 4564 | t60, t603, t607, t61, t610, t613, t616, t618, t619, t620, t623, t63, t632, t65, t655, & - | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - - 4937 | /t12*t63)) - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4562:47: +Warning: 't2035' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:97: - 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't2035' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: - 4963 | + 30._dp*a5*t21*t54*t65) + 2811 | *t60*t2124*t709 - t6044 | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:18: +Warning: 't2032' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:90: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't2032' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: - 4937 | /t12*t63)) - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:83: + 2744 | *t27*t6291*t172 - t5397 + | ^ +Warning: 't2031' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:83: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4921:26: - - 4921 | t603 = t46*t31*t6 - | ^ -Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:18: - - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4835:24: - - 4835 | t422 = t154*t44 - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:50: - - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - - 4937 | /t12*t63)) - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:18: - - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4726:22: +note: 't2031' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 4726 | t210 = t4*t18 - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:40: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:76: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4732:24: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't203' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: - 4732 | t221 = t39*t220 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:18: + 2795 | *t5228*t2117*t2028 + | ^ +Warning: 't2028' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:70: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4760:26: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't2028' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: - 4760 | t274 = a5*t38*t54 - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:83: + 2779 | *t6271 + | ^ +Warning: 't2027' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:63: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't2027' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 4937 | /t12*t63)) - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:24: + 2234 | + t5032 + t5035 + | ^ +Warning: 't2022' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:56: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4729:24: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't2022' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 4729 | t213 = t35*t196 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:77: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't2018' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:49: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4907:24: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't2018' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 4907 | t564 = t34*t212 - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:42: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't2014' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:42: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ -note: 't34' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: - - 4963 | + 30._dp*a5*t21*t54*t65) - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:71: - - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4720:27: - - 4720 | t203 = t27*t46*t31 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:48: - - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4917:27: - - 4917 | t588 = t10*t29*t14 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:65: +note: 't2014' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't2013' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:35: - 4937 | /t12*t63)) - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:36: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't2013' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4922:28: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't2009' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:28: - 4922 | t607 = t27*t227*t31 + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:86: - - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4925:64: - - 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:65: - - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4717:24: +note: 't2009' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1896:32: - 4717 | t197 = t22*t196 - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:53: + 1896 | t3875 = t45*t2002 + | ^ +Warning: 't2002' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:14: - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^ +note: 't2002' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:46: - 4963 | + 30._dp*a5*t21*t54*t65) + 2578 | - t5973 + t5975 - t5977 | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:18: - - 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5158:90: - - 5158 | *t19 + 12._dp*g3*t1*t24*t32) - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:24: - - 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4726:22: - - 4726 | t210 = t4*t18 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:65: - - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4925:64: - - 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:12: +Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:80: - 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5075:64: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^ +note: 't200' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2635:61: - 5075 | - t80*(t1074 + t1118)*Clda)*sx - | ^ -Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:83: + 2635 | t6116 = 0.3600000000e2_dp*t1971*t471*t20*t5713 + | ^ +Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:74: - 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & - | ^ -note: 't167' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^ +note: 't20' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:57: + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:48: - 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & - | ^ -note: 't161' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^ +note: 't199' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:51: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't1988' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:42: - 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & - | ^ -note: 't160' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4709:24: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^ +note: 't1988' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 4709 | t184 = t16*t183 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:45: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't1981' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:21: - 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5202:132: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^ +note: 't1981' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 5202 | *t155*t44*t772) - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:90: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1975' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:90: - 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ -note: 't156' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4832:29: - - 4832 | t417 = t155*t44*t286 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:77: - - 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4838:25: +note: 't1975' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2757:70: - 4838 | t427 = t154*t219 - | ^ -Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:71: + 2757 | + t5619 + t5622 - t5625 - t5628 + t5631 + t5716 + | ^ +Warning: 't1974' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:83: - 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & - | ^ -note: 't154' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^ +note: 't1974' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:38: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't1973' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:76: - 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^ +note: 't1973' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:25: + 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 + | ^ +Warning: 't1972' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:69: - 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4851:86: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^ +note: 't1972' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63: - 4851 | + t439*t160) - | ^ -Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4545:88: + 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 + | ^ +Warning: 't1971' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:62: - 4545 | REAL(KIND=dp) :: t1405, t141, t1413, t1435, t1443, t1447, t1448, t145, t1452, t146, t1481, & - | ^ -note: 't146' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4886:115: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^ +note: 't1971' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2622:57: - 4886 | *t400*t519) + 0.3e1_dp/0.2e1_dp*(t400)*(t522))*t145 - | ^ -Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4545:75: + 2622 | t6087 = 0.1666666667e0_dp*t429*t1966*t1410 + | ^ +Warning: 't1966' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:48: - 4545 | REAL(KIND=dp) :: t1405, t141, t1413, t1435, t1443, t1447, t1448, t145, t1452, t146, t1481, & - | ^ -note: 't145' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4997:25: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^ +note: 't1966' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58: - 4997 | t863 = t125*t141 - | ^ -Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4545:34: + 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865 + | ^ +Warning: 't1962' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:34: - 4545 | REAL(KIND=dp) :: t1405, t141, t1413, t1435, t1443, t1447, t1448, t145, t1452, t146, t1481, & + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ -note: 't141' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4779:24: - - 4779 | t309 = t14*t102 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4544:78: - - 4544 | t1319, t1324, t133, t1336, t134, t1351, t136, t137, t1382, t1397, t14, t140 - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5129:26: +note: 't1962' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:46: - 5129 | t1397 = t136*t137 - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4544:59: + 2578 | - t5973 + t5975 - t5977 + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:20: - 4544 | t1319, t1324, t133, t1336, t134, t1351, t136, t137, t1382, t1397, t14, t140 - | ^ -note: 't137' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5202:132: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^ +note: 't196' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:578:30: - 5202 | *t155*t44*t772) - | ^ -Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4544:40: + 578 | t271 = t195*t17 + | ^ +Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:82: - 4544 | t1319, t1324, t133, t1336, t134, t1351, t136, t137, t1382, t1397, t14, t140 - | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4851:86: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^ +note: 't195' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 4851 | + t439*t160) - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4544:27: + 2043 | + (2*t147*t1284*t672) + | ^ +Warning: 't1940' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:62: - 4544 | t1319, t1324, t133, t1336, t134, t1351, t136, t137, t1382, t1397, t14, t140 - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^ +note: 't1940' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 4966 | t171*t752 - t210*t171*t769 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:92: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:55: - 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5189:80: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^ +note: 't194' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 5189 | *t367*t405*t1552) - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:80: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't1932' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:35: - 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & - | ^ -note: 't129' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5002:39: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^ +note: 't1932' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: - 5002 | t878 = 0.1e1_dp/t128/t115/t114 + 2020 | *t429*t1928*t290 | ^ -Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:67: - - 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: +Warning: 't1928' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:28: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:47: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^ +note: 't1928' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38: - 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5105:26: + 2643 | t6141 = t658*t575*t1925 + | ^ +Warning: 't1925' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:62: - 5105 | t1264 = t125*t126 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:20: + 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 + | ^ +note: 't1925' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4802:24: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't1924' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:55: - 4802 | t355 = t93*t122 - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4542:73: + 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 + | ^ +note: 't1924' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2557:38: - 4542 | t1189, t1190, t1198, t12, t1205, t1208, t121, t1210, t1218, t122, t1224, t1231, t125, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4982:34: + 2557 | t5938 = t192*t728*t1505 + | ^ +Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:34: - 4982 | t811 = 0.1e1_dp/t121/t114 + 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4542:53: - - 4542 | t1189, t1190, t1198, t12, t1205, t1208, t121, t1210, t1218, t122, t1224, t1231, t125, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - - 4937 | /t12*t63)) - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4542:33: - - 4542 | t1189, t1190, t1198, t12, t1205, t1208, t121, t1210, t1218, t122, t1224, t1231, t125, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5196:67: - - 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:78: - - 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4973:39: - - 4973 | t792 = 0.1e1_dp/t117/t789/t114 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:65: - - 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4797:34: +note: 't192' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 4797 | t345 = 0.1e1_dp/t117/t116 + 1924 | t1320*t1483 | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:59: - - 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4871:25: - - 4871 | t486 = t115*t281 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:39: - - 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4874:25: - - 4874 | t500 = t114*t281 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:33: - - 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5166:27: - - 5166 | t1562 = t113*t1447 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:27: +Warning: 't1912' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:14: - 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5089:26: + 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 + | ^ +note: 't1912' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 5089 | t1208 = t110*t111 - | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4540:91: + 1924 | t1320*t1483 + | ^ +Warning: 't1902' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:81: - 4540 | t106, t1065, t1066, t1071, t1074, t108, t1082, t1089, t109, t1098, t11, t110, t111, & - | ^ -note: 't111' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4744:19: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^ +note: 't1902' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 4744 | *t5 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4540:79: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:67: - 4540 | t106, t1065, t1066, t1071, t1074, t108, t1082, t1089, t109, t1098, t11, t110, t111, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2457:58: - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + 2457 | t5666 = 0.1125000000e2_dp*t1302*t1892*t1410 | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4540:47: - - 4540 | t106, t1065, t1066, t1071, t1074, t108, t1082, t1089, t109, t1098, t11, t110, t111, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4837:25: - - 4837 | t426 = t106*t389 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4540:13: +Warning: 't1892' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:48: - 4540 | t106, t1065, t1066, t1071, t1074, t108, t1082, t1089, t109, t1098, t11, t110, t111, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5026:30: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^ +note: 't1892' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:682:30: - 5026 | t966 = t136*t105*t108 + 682 | t503 = t189*t67 | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4539:95: - - 4539 | t1001, t1011, t1017, t102, t1026, t103, t1033, t1035, t1040, t1047, t1048, t1049, t105, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5158:90: - - 5158 | *t19 + 12._dp*g3*t1*t24*t32) - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4539:47: - - 4539 | t1001, t1011, t1017, t102, t1026, t103, t1033, t1035, t1040, t1047, t1048, t1049, t105, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4781:25: - - 4781 | t313 = t179*t102 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4539:34: +Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:34: - 4539 | t1001, t1011, t1017, t102, t1026, t103, t1033, t1035, t1040, t1047, t1048, t1049, t105, & + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: - - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:94: - - 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4711:24: - - 4711 | t188 = t10*t178 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:88: - - 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5158:90: - - 5158 | *t19 + 12._dp*g3*t1*t24*t32) - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:83: - - 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_utils.mod' due to: semi_empirical_int_utils.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_int_arrays.mod semi_empirical_int3_utils.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_gks.mod' due to: semi_empirical_int_gks.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_gks.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_mpole_types.mod pw_pool_types.mod multipole_types.mod dg_types.mod dg_rho0_types.mod pw_grid_types.mod semi_empirical_int_arrays.mod mathconstants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_nonbond_force.mod' due to: fist_nonbond_force.o /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atprop_types.mod ewald_environment_types.mod splines_types.mod atomic_kind_types.mod shell_potential_types.mod fist_neighbor_list_types.mod distribution_1d_types.mod cell_types.mod particle_types.mod pair_potential_types.mod cp_log_handling.mod machine.mod pair_potential_coulomb.mod splines_methods.mod kinds.mod mathconstants.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_force.mod' due to: nnp_force.o /build/reproducible-path/cp2k-2023.1/src/nnp_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 nnp_environment_types.mod atomic_kind_types.mod cp_subsys_types.mod virial_types.mod input_section_types.mod particle_types.mod distribution_1d_types.mod message_passing.mod cp_units.mod nnp_acsf.mod nnp_model.mod cp_log_handling.mod periodic_table.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kpp1_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_rho_set_types.mod xc_derivative_set_types.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_mm.mod' due to: input_cp2k_mm.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod force_field_kind_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_field.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod input_cp2k_poisson.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_libxc.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod input_keyword_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_libxc_wrap.mod bibliography.mod xc_derivative_desc.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc.F xc_libxc.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1293:35: - - 1293 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1293:30: - - 1293 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1529:56: - - 1529 | t55 + t93 + t127)*sc - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1292:85: - - 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: - - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1292:80: - - 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2218:35: +note: 't189' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 2218 | t1901 = t90*t91*t793 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1292:40: + 2043 | + (2*t147*t1284*t672) + | ^ +Warning: 't1886' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:28: - 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1790:29: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^ +note: 't1886' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: - 1790 | t757 = t89*t91 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1291:92: + 2710 | t5011 + t5001 + | ^ +Warning: 't1885' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:21: - 1291 | REAL(KIND=dp) :: t865, t866, t869, t870, t873, t874, t875, t878, t881, t884, t887, t89, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^ +note: 't1885' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1290:59: + 2358 | t5421 = t657*t1884*t59*t1975 + | ^ +Warning: 't1884' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:14: - 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^ +note: 't1884' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ -Warning: 't834' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1290:19: - - 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 - | ^ -note: 't834' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1290:13: - - 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 - | ^ -note: 't833' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: - - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't832' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:97: - - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't832' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't831' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:91: - - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't831' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: +Warning: 't1875' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:83: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't830' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:85: + 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & + | ^ +note: 't1875' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2782:78: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't830' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: + 2782 | + 0.3333333334e0_dp*t6283*t187*t177*t65 + t5925 - t5929 + | ^ +Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:62: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't829' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:79: + 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & + | ^ +note: 't187' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't829' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) + | ^ +Warning: 't1865' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:49: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't828' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:73: + 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & + | ^ +note: 't1865' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2036:32: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't828' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + 2036 | t4498 = t56*t1843 + | ^ +Warning: 't1843' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:90: - 2120 | + t842 - t1609 - | ^ -Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:67: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^ +note: 't1843' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ -note: 't827' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: - - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't826' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:61: - - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't826' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't825' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:55: - - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't825' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't824' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:49: - - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't824' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: +Warning: 't1838' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:76: - 2120 | + t842 - t1609 - | ^ -Warning: 't823' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:43: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^ +note: 't1838' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't823' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't1837' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:69: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:37: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^ +note: 't1837' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2538:37: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + 2538 | t5888 = t60*t1836*t709 | ^ -note: 't822' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't821' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:31: - - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't821' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: - - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't820' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:25: +Warning: 't1836' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:62: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't820' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^ +note: 't1836' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2275:58: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't819' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:19: + 2275 | - 0.1800000000e2_dp*t478*t183*t5143 + | ^ +Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:41: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't819' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^ +note: 't183' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 2120 | + t842 - t1609 - | ^ -Warning: 't818' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:13: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't1829' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:35: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^ -note: 't818' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^ +note: 't1829' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2363:29: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't817' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:94: + 2363 | *t5421 + | ^ +Warning: 't1825' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:21: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't817' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^ +note: 't1825' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't816' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:88: + 1976 | *t3382 + | ^ +Warning: 't1821' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:88: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & | ^ -note: 't816' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:82: - - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't815' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2196:32: - - 2196 | t1832 = t814*t254 - | ^ -Warning: 't814' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:76: +note: 't1821' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ -note: 't814' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't813' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:70: - - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't813' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: +Warning: 't182' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:81: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't812' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:64: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^ +note: 't182' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't812' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2198:32: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't1811' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:61: - 2198 | t1838 = t811*t202 - | ^ -Warning: 't811' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:58: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^ +note: 't1811' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2509:58: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 2509 | t5810 = 0.1080000000e3_dp*t1143*t1801*t1410 | ^ -note: 't811' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2214:32: +Warning: 't1801' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:33: - 2214 | t1891 = t808*t254 - | ^ -Warning: 't808' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:52: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^ +note: 't1801' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't808' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2202:32: + 2710 | t5011 + t5001 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:19: - 2202 | t1850 = t806*t254 - | ^ -Warning: 't806' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:46: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2561:52: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't806' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2210:32: + 2561 | t5949 = 0.8999999998e1_dp*t1795*t4909 + | ^ +Warning: 't1795' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:97: - 2210 | t1870 = t804*t254 - | ^ -Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:40: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^ +note: 't1795' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't804' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2215:32: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1790' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:83: - 2215 | t1893 = t803*t305 - | ^ -Warning: 't803' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:34: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^ +note: 't1790' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2569:34: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + 2569 | t5966 = t1785*t1790 | ^ -note: 't803' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2204:32: - - 2204 | t1858 = t802*t142 - | ^ -Warning: 't802' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:28: - - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't802' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:22: - - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1945:47: - - 1945 | t1099 = t8**(-0.1666666667e1_dp) - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:17: - - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2246:34: +Warning: 't1785' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:62: - 2246 | *t136*t1986 - | ^ -Warning: 't799' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:13: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^ +note: 't1785' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^ -note: 't799' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 2621 | *t6075 - t6078 + | ^ +Warning: 't1782' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:48: - 2194 | *t725*t371 - | ^ -Warning: 't796' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:97: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^ +note: 't1782' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2541:56: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't796' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + 2541 | t5902 = 0.1800000000e2_dp*t1718*t178*t710 + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:41: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't793' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:91: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^ +note: 't178' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2587:52: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't793' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: + 2587 | t6009 = 0.5000000001e0_dp*t1777*t4908 + | ^ +Warning: 't1777' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:28: - 2228 | *t1094 - | ^ -Warning: 't789' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:85: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^ +note: 't1777' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2579:52: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't789' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: + 2579 | t5985 = 0.5000000001e0_dp*t1774*t4908 + | ^ +Warning: 't1774' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:14: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't784' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:73: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^ +note: 't1774' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:54: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't784' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2137:89: + 2786 | + t5949 + t5952 + t5954 - t5958 + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:89: - 2137 | t1142 - 0.40e1_dp*t1626*t92 + t1346 + t1654*t126 + 0.40e1_dp*t1657 + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & | ^ -Warning: 't783' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:67: - - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't783' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:61: - - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't782' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't780' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:55: - - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't780' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2233:29: - - 2233 | *t1776 - | ^ -Warning: 't779' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:49: - - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't779' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2233:29: - - 2233 | *t1776 - | ^ -Warning: 't778' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:43: - - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't778' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2233:29: +note: 't177' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 2233 | *t1776 - | ^ -Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:37: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't1769' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:83: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't777' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^ +note: 't1769' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:54: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't774' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:31: + 2786 | + t5949 + t5952 + t5954 - t5958 + | ^ +Warning: 't1766' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:69: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't774' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^ +note: 't1766' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2604:52: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:25: + 2604 | t6044 = 0.2000000002e1_dp*t1763*t5956 + | ^ +Warning: 't1763' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:55: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't773' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^ +note: 't1763' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:951:30: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't772' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:19: + 951 | t1140 = t176**2 + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:34: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't772' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^ +note: 't176' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ -Warning: 't771' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:13: - - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^ -note: 't771' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't769' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:91: - - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't769' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't767' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:85: - - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't767' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2113:36: - - 2113 | t1603 = 0.2e1_dp*t766 - | ^ -Warning: 't766' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:79: - - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't766' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:73: - - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't764' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't762' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:61: - - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't762' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2117:38: - - 2117 | t1609 = 0.160e2_dp*t759 - | ^ -Warning: 't759' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:55: +Warning: 't1755' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:70: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't759' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^ +note: 't1755' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't758' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:49: + 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 + | ^ +Warning: 't1748' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:49: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ -note: 't758' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2209:64: +note: 't1748' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 - | ^ -Warning: 't757' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:43: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1745' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:42: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't757' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2159:52: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^ +note: 't1745' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2563:52: - 2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91 + 2563 | t5954 = 0.8999999998e1_dp*t1741*t4909 | ^ -Warning: 't756' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:37: - - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't756' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2209:64: - - 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 - | ^ -Warning: 't755' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:31: - - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't755' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't753' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:25: - - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't753' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2233:29: - - 2233 | *t1776 - | ^ -Warning: 't752' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:19: +Warning: 't1741' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:28: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't752' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^ +note: 't1741' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2555:57: - 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 - | ^ -Warning: 't751' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:13: + 2555 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905 + | ^ +Warning: 't1740' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:21: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^ -note: 't751' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^ +note: 't1740' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't750' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:94: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1737' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:14: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't750' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^ +note: 't1737' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2004:32: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:88: + 2004 | t4352 = t1731*t67 + | ^ +Warning: 't1731' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:90: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^ +note: 't1731' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: - 2120 | + t842 - t1609 - | ^ -Warning: 't748' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:83: + 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 + | ^ +Warning: 't1726' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:69: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't748' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^ +note: 't1726' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: - 2120 | + t842 - t1609 + 2621 | *t6075 - t6078 | ^ -Warning: 't746' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:77: +Warning: 't1722' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:55: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't746' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^ +note: 't1722' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: - 2120 | + t842 - t1609 + 2621 | *t6075 - t6078 | ^ -Warning: 't745' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:71: - - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't745' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2164:41: - - 2164 | t1754 = 0.2e1_dp*t744*t254 - | ^ -Warning: 't744' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:65: - - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't744' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: - - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't743' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:59: - - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't743' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: +Warning: 't1720' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:48: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't742' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:53: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^ +note: 't1720' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't742' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2165:41: + 2744 | *t27*t6291*t172 - t5397 + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:41: - 2165 | t1764 = 0.2e1_dp*t741*t202 + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ -Warning: 't741' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:47: +note: 't172' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't741' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2053:40: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't1718' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:28: - 2053 | t1469 = t74**(-0.40e1_dp) - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:41: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^ +note: 't1718' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: + 2568 | t5964 = t1715*t1525 + | ^ +Warning: 't1715' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:14: - 2228 | *t1094 - | ^ -Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:36: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^ +note: 't1715' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't735' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2124:42: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1712' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:87: - 2124 | t1620 = 0.80e1_dp*t733*t254 - | ^ -Warning: 't733' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:30: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^ +note: 't1712' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2641:61: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't733' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + 2641 | t6136 = 0.5555555557e-1_dp*t165*t171*t5122*t17 + | ^ +Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:80: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ -Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:24: +note: 't171' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't732' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2139:42: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1709' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:74: - 2139 | t1666 = 0.80e1_dp*t730*t254 - | ^ -Warning: 't730' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:18: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^ +note: 't1709' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't730' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't1706' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:60: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:12: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^ +note: 't1706' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^ -note: 't73' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2168:41: + 1894 | *t165*t3865*t237 + | ^ +Warning: 't1703' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:46: - 2168 | t1775 = 0.2e1_dp*t729*t305 - | ^ -Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:93: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^ +note: 't1703' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't729' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2141:32: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't1700' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:32: - 2141 | t1671 = t728*t142 + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ -Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:87: +note: 't1700' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2484:61: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't728' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 2484 | t5738 = 0.4444444445e0_dp*t170*t114*t4782*t451 + | ^ +Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:25: - 2194 | *t725*t371 - | ^ -Warning: 't725' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:81: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^ +note: 't170' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't725' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 2744 | *t27*t6291*t172 - t5397 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:19: - 2194 | *t725*t371 - | ^ -Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:75: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2329:55: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't722' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 2329 | t5338 = 0.6666666672e0_dp*t55*t1694*t561 + | ^ +Warning: 't1694' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:84: - 2194 | *t725*t371 - | ^ -Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:69: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^ +note: 't1694' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't719' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't1689' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:70: - 2194 | *t725*t371 - | ^ -Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:63: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^ +note: 't1689' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't716' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't1688' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:63: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:33: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^ +note: 't1688' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2420:33: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + 2420 | t5565 = t112*t1685 | ^ -note: 't705' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2150:32: +Warning: 't1685' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:56: - 2150 | t1696 = t316*t704 - | ^ -Warning: 't704' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:27: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^ +note: 't1685' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^ -note: 't704' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't1684' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:49: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't697' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:66: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^ +note: 't1684' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ -note: 't697' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't696' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:60: +Warning: 't1681' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:42: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't696' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^ +note: 't1681' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2398:38: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't691' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:54: + 2398 | t5511 = t1680*t3673*t23 + | ^ +Warning: 't1680' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:35: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't691' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^ +note: 't1680' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't688' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:48: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't1677' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:21: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't688' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^ +note: 't1677' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't687' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:42: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't1669' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:89: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't687' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^ +note: 't1669' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2396:52: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't683' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:36: + 2396 | t5507 = 0.120e2_dp*t7*t640*t1667*t371 + | ^ +Warning: 't1667' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:82: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't683' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^ +note: 't1667' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1824:29: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't682' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:30: + 1824 | *t3576 + | ^ +Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:54: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't682' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^ +note: 't166' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't681' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:24: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't1658' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:48: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't681' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^ +note: 't1658' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:13: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't1652' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:27: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^ -note: 't679' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^ +note: 't1652' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2500:57: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't678' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:96: + 2500 | t5783 = 0.5555555557e-1_dp*t165*t5013*t433 + | ^ +Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:20: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't678' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^ +note: 't165' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56: - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't674' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:90: + 2162 | t102*t4838 - 0.20e1_dp*t102*t4850 + | ^ +Warning: 't1645' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:90: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & | ^ -note: 't674' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't667' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:84: - - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't667' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't666' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:78: +note: 't1645' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2387:49: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't666' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1981:32: + 2387 | t5482 = 0.2160000000e3_dp*t7*t1642 + | ^ +Warning: 't1642' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:76: - 1981 | t1238 = t874*t661 - | ^ -Warning: 't661' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:66: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^ +note: 't1642' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ -note: 't661' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1985:43: - - 1985 | t1252 = t865/t659/t282*t1250 - | ^ -Warning: 't659' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:60: - - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't659' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:54: - - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't658' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't657' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:48: +Warning: 't1640' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:69: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't657' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1982:30: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^ +note: 't1640' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1070:30: - 1982 | t1244 = t654**2 + 1070 | t1409 = t4*t164 | ^ -Warning: 't654' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:36: +Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:62: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't654' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1660:39: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^ +note: 't164' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: - 1660 | t542 = 0.1e1_dp/t540/t65 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:24: + 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 + | ^ +Warning: 't1632' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:35: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^ +note: 't1632' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't648' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:19: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't1631' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:28: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^ -note: 't648' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^ +note: 't1631' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't644' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:96: + 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 + | ^ +Warning: 't1626' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:91: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't644' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^ +note: 't1626' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't643' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:90: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't1625' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:84: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't643' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^ +note: 't1625' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't636' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:73: + 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 + | ^ +Warning: 't1622' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:70: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't636' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^ +note: 't1622' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:67: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't1621' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:63: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't635' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^ +note: 't1621' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't634' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:61: + 2382 | - t5462 + t5466 - t5468 + | ^ +Warning: 't1618' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:49: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't634' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^ +note: 't1618' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't631' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:55: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't1617' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:42: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't631' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^ +note: 't1617' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't630' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:49: + 1866 | *t339*t969 + | ^ +Warning: 't1616' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:35: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't630' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^ +note: 't1616' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:43: + 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 + | ^ +Warning: 't1611' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:69: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't627' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1974:63: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^ +note: 't1611' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: - 1974 | *t622*t874 - 0.9531842928e0_dp*t266*t887 + 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 | ^ -Warning: 't622' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:37: - - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't622' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1971:32: +Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:55: - 1971 | t1168 = t619*t269 - | ^ -Warning: 't619' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:31: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^ +note: 't161' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2384:51: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't619' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 2384 | t5474 = 0.4266666668e2_dp*t339*t1608 + | ^ +Warning: 't1608' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:49: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't618' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:25: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^ +note: 't1608' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't618' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 2382 | - t5462 + t5466 - t5468 + | ^ +Warning: 't1603' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:28: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't617' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:19: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^ +note: 't1603' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't617' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 1832 | *t3339 + | ^ +Warning: 't1602' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:21: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't611' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:13: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^ +note: 't1602' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^ -note: 't611' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) + | ^ +Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:95: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't610' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:93: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^ +note: 't160' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1081:46: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't610' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + 1081 | t1439 = 0.1e1_dp/t787/t16*t1438 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:89: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:87: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:64: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1965:32: + 2425 | - 0.80e1_dp*t5565 + t5568 + t5572 + t5574 + | ^ +Warning: 't1599' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:84: - 1965 | t1151 = t607*t874 - | ^ -Warning: 't607' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:76: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^ +note: 't1599' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't607' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't1598' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:77: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't606' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:70: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^ +note: 't1598' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ -note: 't606' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: +Warning: 't1597' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:70: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:64: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^ +note: 't1597' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:64: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + 2425 | - 0.80e1_dp*t5565 + t5568 + t5572 + t5574 | ^ -note: 't605' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2158:80: - - 2158 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 - | ^ -Warning: 't604' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:58: - - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't604' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: +Warning: 't1592' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:49: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't603' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:52: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^ +note: 't1592' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't603' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + 1866 | *t339*t969 + | ^ +Warning: 't1589' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:35: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't602' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:46: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^ +note: 't1589' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2375:46: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + 2375 | t5456 = 0.1280e3_dp*t1582*t1426 | ^ -note: 't602' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2137:89: - - 2137 | t1142 - 0.40e1_dp*t1626*t92 + t1346 + t1654*t126 + 0.40e1_dp*t1657 - | ^ -Warning: 't601' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:40: - - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't601' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't600' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:34: - - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't600' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:28: +Warning: 't1582' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:91: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't60' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^ +note: 't1582' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't599' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:19: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't1575' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:63: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't599' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2158:80: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^ +note: 't1575' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2662:30: - 2158 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 - | ^ -Warning: 't598' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:13: + 2662 | - t6185 + | ^ +Warning: 't1571' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:49: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^ -note: 't598' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^ +note: 't1571' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:96: + 1894 | *t165*t3865*t237 + | ^ +Warning: 't1568' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:35: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't597' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^ +note: 't1568' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't596' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:90: + 1894 | *t165*t3865*t237 + | ^ +Warning: 't1565' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:28: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't596' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^ +note: 't1565' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't595' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:84: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't1564' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:21: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't595' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^ +note: 't1564' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2268:58: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't594' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:78: + 2268 | + 0.1500000000e1_dp*t405*t156*t5143 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:89: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't594' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^ +note: 't156' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2676:36: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:72: + 2676 | t6219 + t6222 + | ^ +Warning: 't1557' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:83: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't593' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^ +note: 't1557' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2662:30: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't592' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:66: + 2662 | - t6185 + | ^ +Warning: 't1553' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:69: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't592' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2169:32: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^ +note: 't1553' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1622:39: - 2169 | t1776 = t317*t591 - | ^ -Warning: 't591' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:60: + 1622 | *t400*t401*t2230 + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:55: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't591' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't583' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:54: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't1547' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:42: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't583' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^ +note: 't1547' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't582' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:48: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't1546' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:35: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't582' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^ +note: 't1546' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't577' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:42: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't1536' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:91: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^ +note: 't1536' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2165:42: + + 2165 | t4864 = t217*t46*t1535*t561 | ^ -note: 't577' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: +Warning: 't1535' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:84: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:36: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^ +note: 't1535' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't574' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1531' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:77: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:30: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^ +note: 't1531' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2193:52: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't573' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2092:39: + 2193 | t4932 = 0.5000000001e0_dp*t1528*t4908 + | ^ +Warning: 't1528' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:63: - 2092 | t1570 = t57*aa*t1567*t91 - | ^ -Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:24: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^ +note: 't1528' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't57' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't1525' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:56: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't569' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:19: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^ +note: 't1525' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2613:42: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't569' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 2613 | t6066 = t1519*t705*t561*t65 + | ^ +Warning: 't1519' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:42: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't568' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:13: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^ +note: 't1519' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2590:39: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^ -note: 't568' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 2590 | t6021 = t649*t1518*t1722 + | ^ +Warning: 't1518' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:35: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:95: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^ +note: 't1518' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2191:52: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't567' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 2191 | t4925 = 0.5000000001e0_dp*t1513*t4908 + | ^ +Warning: 't1513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:14: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't565' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:89: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^ +note: 't1513' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't565' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 1984 | t192*t68*t4256*t65 + | ^ +Warning: 't1510' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:87: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't564' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:83: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^ +note: 't1510' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't564' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:80: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't560' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:77: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^ +note: 't151' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2185:52: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't560' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + 2185 | t4911 = 0.8999999998e1_dp*t1507*t4909 + | ^ +Warning: 't1507' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:67: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:71: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^ +note: 't1507' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2182:57: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't56' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + 2182 | t4907 = 0.2250000000e2_dp*t1506*t471*t4905 + | ^ +Warning: 't1506' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:60: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't553' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:66: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^ +note: 't1506' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't553' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't1505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:53: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't552' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:60: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^ +note: 't1505' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't552' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1529:56: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't1504' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:46: - 1529 | t55 + t93 + t127)*sc - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:54: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^ +note: 't1504' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2060:32: + 2175 | t4895 = t478*t1500*t4729 + | ^ +Warning: 't1500' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:32: - 2060 | t1510 = t874*t547 + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ -Warning: 't547' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:43: +note: 't1500' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:656:32: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't547' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2064:43: + 656 | t428 = omega*t150 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:25: - 2064 | t1524 = t865/t545/t230*t1522 - | ^ -Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:37: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^ +note: 't150' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2172:57: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't545' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2172 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729 + | ^ +Warning: 't1493' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:90: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't544' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:31: + 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & + | ^ +note: 't1493' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't544' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:76: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't543' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:25: + 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & + | ^ +note: 't149' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't543' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2061:30: + 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) + | ^ +Warning: 't1483' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:56: - 2061 | t1516 = t540**2 - | ^ -Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:13: + 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & + | ^ +note: 't1483' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^ -note: 't540' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + 2234 | + t5032 + t5035 + | ^ +Warning: 't1471' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:28: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:92: + 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & + | ^ +note: 't1471' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 1784 | t165*t171*t3449 + | ^ +Warning: 't1470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:74: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:81: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^ +note: 't1470' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't534' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2234 | + t5032 + t5035 + | ^ +Warning: 't1466' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:61: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:69: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^ +note: 't1466' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't530' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2234 | + t5032 + t5035 + | ^ +Warning: 't1459' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:48: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:63: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^ +note: 't1459' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 | ^ -note: 't529' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: +Warning: 't1447' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:21: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't522' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:51: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^ +note: 't1447' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't522' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 + | ^ +Warning: 't1444' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:14: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:45: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^ +note: 't1444' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2439:54: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't521' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2439 | - t5602 + t5604 + t5607 + t5610 + | ^ +Warning: 't1443' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:97: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:39: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't1443' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't520' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't1440' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:90: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:33: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't1440' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't517' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:83: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:27: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't144' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1843:34: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^ -note: 't516' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 1843 | t3679 = t2565*t1439 + | ^ +Warning: 't1439' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:77: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:70: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't1439' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't1438' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:70: + + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ -note: 't513' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: +note: 't1438' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:64: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:56: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2045:63: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't1429' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: - 2045 | *t508*t874 - 0.9531842928e0_dp*t214*t887 - | ^ -Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:59: + 2382 | - t5462 + t5466 - t5468 + | ^ +Warning: 't1426' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:49: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't508' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2042:32: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't1426' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: - 2042 | t1391 = t505*t217 - | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:53: + 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 + | ^ +Warning: 't1425' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:42: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't505' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't1425' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:47: + 2382 | - t5462 + t5466 - t5468 + | ^ +Warning: 't1420' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:35: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't504' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't1420' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't503' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:41: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't1411' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:14: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't503' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1941:47: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^ +note: 't1411' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: - 1941 | t1088 = t5**(-0.1666666667e1_dp) - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:35: + 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) + | ^ +Warning: 't1410' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:94: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^ +note: 't1410' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't497' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:31: + 714 | t46*t541))*sx + | ^ +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:87: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't497' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^ +note: 't141' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:25: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't1409' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:81: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't496' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2036:32: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^ +note: 't1409' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2772:54: - 2036 | t1374 = t493*t874 - | ^ -Warning: 't493' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:13: + 2772 | + t6119 - t6123 + t6126 - t6129 + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:53: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^ -note: 't493' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^ +note: 't140' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:96: + 2043 | + (2*t147*t1284*t672) + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:47: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't492' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2442:57: - 2120 | + t842 - t1609 - | ^ -Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:90: + 2442 | t5622 = 0.1666666667e0_dp*t165*t1392*t4729 + | ^ +Warning: 't1392' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:28: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't491' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^ +note: 't1392' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 2120 | + t842 - t1609 - | ^ -Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:84: + 2043 | + (2*t147*t1284*t672) + | ^ +Warning: 't1388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:21: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't490' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^ +note: 't1388' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:73: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1387' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:14: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't489' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^ +note: 't1387' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 2120 | + t842 - t1609 - | ^ -Warning: 't488' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:67: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't1377' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:95: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't488' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't1377' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:61: + 2505 | t5797 = t1373*t1962*t1829 + | ^ +Warning: 't1373' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:88: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't487' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't1373' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:55: + 2260 | *t105*t5118 + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:74: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't486' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't137' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:49: + 1784 | t165*t171*t3449 + | ^ +Warning: 't1368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:68: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't485' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't1368' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:43: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't1360' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:54: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't484' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't1360' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't483' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:37: + 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:47: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't483' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't136' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:31: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't1348' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:41: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't482' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2093:32: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't1348' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 2093 | t1576 = t481*t254 - | ^ -Warning: 't481' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:25: + 1911 | *t400*t1333*t1410 + | ^ +Warning: 't1340' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:27: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't481' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't1340' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2449:57: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:19: + 2449 | t5641 = 0.1500000000e1_dp*t405*t1333*t4729 + | ^ +Warning: 't1333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:20: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^ -note: 't480' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2166:32: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^ +note: 't1333' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 2166 | t1765 = t320*t479 - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:13: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:13: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ -note: 't479' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:96: - - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't473' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: +note: 't133' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:90: + 1924 | t1320*t1483 + | ^ +Warning: 't1320' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:93: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't472' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't1320' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:84: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:86: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't467' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't132' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:78: + 1924 | t1320*t1483 + | ^ +Warning: 't1316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:80: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't1316' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1537:43: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:72: + 1537 | t2565 = t126/t131/t1056/t130 + | ^ +Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:73: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't463' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't131' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2460:57: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:66: + 2460 | t5670 = 0.2250000000e1_dp*t400*t1309*t4729 + | ^ +Warning: 't1309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:67: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't459' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't1309' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2464:57: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't458' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:60: + 2464 | t5679 = 0.1875000000e1_dp*t1302*t406*t5002 + | ^ +Warning: 't1302' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:60: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ -note: 't458' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: +note: 't1302' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1901:33: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:54: + 1901 | t3939 = t1301*t245 + | ^ +Warning: 't1301' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:53: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't1301' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + + 2717 | + 0.4500000000e1_dp*t2009*t4744 | ^ -note: 't457' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: +Warning: 't1300' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:46: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:48: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't1300' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:911:30: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't455' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 911 | t1056 = t130**2 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:39: - 1921 | *t45*t1020*t984*t1027 + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't130' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:809:44: + + 809 | t796 = 0.1e1_dp/t787/t13*t795 | ^ -Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:42: +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:33: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't454' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2365:57: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:36: + 2365 | t5429 = 0.1666666667e0_dp*t445*t1292*t5143 + | ^ +Warning: 't1292' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:28: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't450' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't1292' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 1921 | *t45*t1020*t984*t1027 + 2043 | + (2*t147*t1284*t672) | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:30: +Warning: 't1284' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:14: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^ +note: 't1284' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't447' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:25: + 2020 | *t429*t1928*t290 + | ^ +Warning: 't1283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:96: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't447' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't1283' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:19: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't1275' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:89: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't444' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1889:31: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't1275' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 1889 | t945 = t443*t873 - | ^ -Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:13: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't1264' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:75: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^ -note: 't443' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't1264' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't440' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:96: + 1551 | *t2565*t796 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:68: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't440' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:90: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't1247' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:55: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't439' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1906:32: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't1247' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2498:59: - 1906 | t1013 = t874*t434 - | ^ -Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:78: + 2498 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009 + | ^ +Warning: 't1246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:48: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't434' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1910:43: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't1246' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 1910 | t1027 = t865/t432/t178*t1025 - | ^ -Warning: 't432' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:72: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1235' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:27: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't432' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't1235' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't431' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:66: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:20: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't431' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:60: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:14: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't430' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1907:30: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^ +note: 't1224' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 1907 | t1019 = t427**2 - | ^ -Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:48: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:95: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't427' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't1221' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:620:81: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:36: + 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:88: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't421' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't122' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:19: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't1216' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:82: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't417' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't1216' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:13: + 1984 | t192*t68*t4256*t65 + | ^ +Warning: 't1213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:75: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^ -note: 't416' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't1213' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:87: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't1207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:61: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't409' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't1207' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:81: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1201' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:47: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't408' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't1201' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't407' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:75: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:40: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't407' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't1200' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:901:31: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:69: + 901 | t1033 = t308*t12 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:33: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't406' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:63: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:28: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't403' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^ +note: 't1194' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:57: + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't1193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:69: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't402' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^ +note: 't1193' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:51: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1192' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:62: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1546:35: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^ +note: 't1192' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 1546 | t355 = t4**0.20e1_dp - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:46: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:48: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:42: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't1189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:42: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ -note: 't399' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1886:62: +note: 't1189' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2512:57: - 1886 | *t394*t874 - 0.9531842928e0_dp*t161*t887 - | ^ -Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:36: + 2512 | t5819 = 0.1800000000e2_dp*t478*t1176*t4729 + | ^ +Warning: 't1176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:35: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't394' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^ +note: 't1176' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:30: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't1172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:28: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't393' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1898:39: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^ +note: 't1172' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 1898 | t972 = t39**(-0.40e1_dp) + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't1168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:21: + + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^ +note: 't1168' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + + 1966 | *t478*t183*t3918 | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:12: +Warning: 't1161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:14: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^ +note: 't1161' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:95: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:95: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ -note: 't389' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1882:49: +note: 't116' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: - 1882 | t903 = 0.1211413728e1_dp*t388*t873 - | ^ -Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:89: + 1976 | *t3382 + | ^ +Warning: 't1157' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:89: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ -note: 't388' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1879:31: +note: 't1157' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2529:57: - 1879 | t893 = t385*t164 - | ^ -Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:83: + 2529 | t5864 = 0.1800000000e2_dp*t473*t1150*t4729 + | ^ +Warning: 't1150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:82: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't385' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't1150' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:77: + 1213 | *t1681 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:75: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't384' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2506:57: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:71: + 2506 | t5801 = 0.3600000000e2_dp*t1143*t479*t5002 + | ^ +Warning: 't1143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:69: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't383' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2038:32: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't1143' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 2038 | t1380 = t379*t217 - | ^ -Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:60: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't1142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:62: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't379' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't1142' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2796:40: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:54: + 2796 | t6596 = t5247*t1141*t4733 + | ^ +Warning: 't1141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:55: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't376' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't1141' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:620:81: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:48: + 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:41: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't375' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2034:32: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 2034 | t1371 = t372*t217 - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:36: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:35: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't372' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't1137' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 2194 | *t725*t371 - | ^ -Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:30: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:28: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't371' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1865:40: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't1134' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 1865 | t864 = 0.1e1_dp/t370/t130 - | ^ -Warning: 't370' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:24: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't1129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:21: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't370' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't1129' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:18: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't1126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:14: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1872:31: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^ +note: 't1126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 1872 | t875 = t367*t874 - | ^ -Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:87: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:95: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't367' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2035:38: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1125' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 2035 | t1372 = t366*t212*t1371 - | ^ -Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:81: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:88: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1122' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2420:33: + + 2420 | t5565 = t112*t1685 + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:81: + + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ -note: 't366' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: +note: 't112' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:75: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:75: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ -note: 't365' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: +note: 't1119' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 2120 | + t842 - t1609 + 1955 | *t58*t3796*t71 | ^ -Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:69: - - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't364' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: - - 2110 | t1599)*t2)*sc - | ^ -Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:63: +Warning: 't1111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:68: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't363' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2030:32: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1111' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 2030 | t1361 = t362*t202 - | ^ -Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:57: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't1109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:61: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't362' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2096:32: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1109' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 2096 | t1582 = t359*t254 - | ^ -Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:51: + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't1106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:54: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't359' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2094:32: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: - 2094 | t1578 = t357*t254 - | ^ -Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:45: + 1984 | t192*t68*t4256*t65 + | ^ +Warning: 't1101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:47: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't357' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2163:75: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1101' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 2163 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 - | ^ -Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:39: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:40: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't356' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2151:32: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1100' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:738:30: - 2151 | t1697 = t315*t355 - | ^ -Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:33: + 738 | t624 = beta*t11 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:33: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ -note: 't355' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2031:32: +note: 't11' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: - 2031 | t1363 = t353*t254 - | ^ -Warning: 't353' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:27: + 1984 | t192*t68*t4256*t65 + | ^ +Warning: 't1097' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:21: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^ -note: 't353' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1097' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:72: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't1093' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:14: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't352' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1960:32: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^ +note: 't1093' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 1960 | t1137 = t351*t305 - | ^ -Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:66: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't1085' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:89: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't351' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1951:32: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^ +note: 't1085' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:741:45: - 1951 | t1110 = t350*t142 - | ^ -Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:60: + 741 | t635 = -4*t108 + 4*t332*my_rho + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:75: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't350' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1949:28: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2322:56: - 1949 | t1096 - | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:54: + 2322 | t5320 = 0.3333333336e0_dp*t83*t1071*t4729 + | ^ +Warning: 't1071' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:55: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't347' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1949:28: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^ +note: 't1071' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 1949 | t1096 - | ^ -Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:48: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:48: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ -note: 't344' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2246:34: +note: 't107' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34: - 2246 | *t136*t1986 + 1932 | t1292*t1829 | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:42: +Warning: 't1067' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:35: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't343' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2029:83: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^ +note: 't1067' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 2029 | *t750*t90*t91*t340 - 0.40e1_dp*t1125*t92 + 0.3600e2_dp*t1358 - | ^ -Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:36: + 1832 | *t3339 + | ^ +Warning: 't1064' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:28: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't340' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^ +note: 't1064' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 2228 | *t1094 - | ^ -Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:25: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't1063' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:21: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't338' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^ +note: 't1063' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: - 2194 | *t725*t371 - | ^ -Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:19: + 2726 | *t1054*t640*t3679 + | ^ +Warning: 't1060' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:14: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't337' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2163:75: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^ +note: 't1060' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1462:31: - 2163 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 - | ^ -Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:13: + 1462 | t2204 = t10*t106 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:95: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't333' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2246:34: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: - 2246 | *t136*t1986 - | ^ -Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:96: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't1058' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:82: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't332' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't1058' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:90: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't1055' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:68: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't329' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't1055' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ -Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:84: + 2726 | *t1054*t640*t3679 + | ^ +Warning: 't1054' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:61: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't328' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't1054' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:78: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1050' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:54: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't327' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't1050' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:72: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:47: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't326' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:66: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't1046' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:41: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't325' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't1046' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ -Warning: 't324' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:60: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't1044' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:34: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't1044' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2416:60: + + 2416 | t5558 = 0.320e2_dp*t5060*t97*t104*my_rho*t233 | ^ -note: 't324' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:20: - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ -Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:54: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't323' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2122:32: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1036' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:14: - 2122 | t1613 = t322*t591 - | ^ -Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:48: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^ +note: 't1036' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't322' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1034' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:96: - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ -Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:42: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1034' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't321' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2166:32: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1030' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:82: - 2166 | t1765 = t320*t479 - | ^ -Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:36: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1030' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:877:29: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't320' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2169:32: + 877 | t972 = t103**2 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:75: - 2169 | t1776 = t317*t591 - | ^ -Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:25: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't317' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2150:32: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1026' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:69: - 2150 | t1696 = t316*t704 - | ^ -Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:19: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1026' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't316' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2151:32: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1024' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:62: - 2151 | t1697 = t315*t355 - | ^ -Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:13: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1024' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^ -note: 't315' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2246:34: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1021' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:55: - 2246 | *t136*t1986 - | ^ -Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:94: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1021' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2404:43: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't312' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: + 2404 | t5528 = t102*t327*t1684*t557 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:48: - 2228 | *t1094 - | ^ -Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:88: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't309' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: + 1765 | t12*t1058 + | ^ +Warning: 't1014' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:35: - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:82: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1014' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't306' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1012' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:28: - 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 - | ^ -Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:76: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1012' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't305' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2144:54: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1008' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:21: - 2144 | t1690 = 0.2400e2_dp*t771*t304*t133*t309 + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1008' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + + 1842 | + 0.3200000000e2_dp*t1055*t3674 | ^ -Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:70: +Warning: 't1004' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:14: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't304' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1398:31: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^ +note: 't1004' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 1398 | t133 = t3 - t132 - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:64: + 1832 | *t3339 + | ^ +Warning: 't1000' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:90: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & + | ^ +note: 't1000' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:896:50: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:60: + 896 | t1019 = 0.1e1_dp/t19/t1014*t787*t10 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:83: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't298' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1044:48: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:54: + 1044 | t540 = 0.1817120592e1_dp*t98*t221 + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:62: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't297' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:48: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:57: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't295' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1030:35: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:42: + 1030 | t505 = t216*t96*t504 + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:46: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't294' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1038:28: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:36: + 1038 | t525 = t95**2 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:23: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't293' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1122:30: - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:30: + 1122 | t823 = t92*t373 + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:706:12: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^ +note: 't92' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:958:30: + + 958 | t382 = t381*t91 | ^ -note: 't291' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1592:39: +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:97: - 1592 | t429 = 0.1e1_dp/t427/t29 + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1026:39: + + 1026 | t499 = 0.1e1_dp/t220/t90 | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:24: +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:92: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:19: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:87: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't288' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:13: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:82: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^ -note: 't287' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1980:32: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:857:75: - 1980 | t1235 = t887*t283 - | ^ -Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:89: + 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:53: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't283' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1985:43: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 1985 | t1252 = t865/t659/t282*t1250 - | ^ -Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:83: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:705:36: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't282' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1984:30: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1984 | t1250 = t280**2 - | ^ -Warning: 't280' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:77: + 1165 | *t389*t573*t748 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:704:44: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't280' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 704 | REAL(KIND=dp) :: t792, t793, t798, t80, t800, t804, t807, t808, t810, t814, t820, t823, & + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:66: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:703:18: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't279' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 703 | t732, t74, t743, t745, t748, t752, t755, t758, t769, t78 + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:60: + 1135 | *t841 - t187*t851 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:702:28: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't278' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1978:41: + 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1111:39: - 1978 | t1218 = 0.1e1_dp/t654/t276 - | ^ -Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:48: + 1111 | t769 = t68**(-0.40e1_dp) + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:702:23: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't276' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:42: + 1165 | *t389*t573*t748 + | ^ +Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:702:18: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't273' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^ +note: 't67' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:966:39: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:36: + 966 | t402 = 0.1e1_dp/t400/t59 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:701:47: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't272' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1754:62: + 701 | t567, t570, t573, t58, t583, t589, t59, t595, t596, t6, t601, t603, t613, t62, t625, t64, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: - 1754 | *t697*t662)*t122) - | ^ -Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:25: + 1135 | *t841 - t187*t851 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:700:77: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't269' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1974:63: + 700 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1974 | *t622*t874 - 0.9531842928e0_dp*t266*t887 - | ^ -Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:19: + 1165 | *t389*t573*t748 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:700:54: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't266' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 700 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:13: + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:699:70: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^ -note: 't265' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1964:38: + 699 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1964 | t1149 = t366*t264*t1148 - | ^ -Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:97: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:699:29: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't264' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1969:30: + 699 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: - 1969 | t1165 = t263**2 - | ^ -Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:91: + 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:95: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't263' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't490' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:85: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:84: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't260' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't489' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1188:32: - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:79: + 1188 | t1019 = t488*t202 + | ^ +Warning: 't488' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:78: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't259' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't488' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:73: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:72: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't258' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2209:64: + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't485' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 - | ^ -Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:67: + 1197 | + t489)*sc + | ^ +Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:66: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't257' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't482' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1104:47: - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:61: + 1104 | t732 = t48**(-0.1666666667e1_dp) + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:60: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^ -note: 't256' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:55: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:55: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ -note: 't255' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: +note: 't479' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 - | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:49: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:49: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ -note: 't254' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2167:49: +note: 't475' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 2167 | t1768 = 0.2400e2_dp*t750*t253*t751 - | ^ -Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:43: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:43: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ -note: 't253' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2159:52: +note: 't472' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: - 2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91 - | ^ -Warning: 't252' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:37: + 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:37: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ -note: 't252' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: +note: 't471' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1177:40: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:31: + 1177 | t984 = 0.2e1_dp*t470*t202 + | ^ +Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:31: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ -note: 't246' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: +note: 't470' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:25: + 1197 | + t489)*sc + | ^ +Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:25: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ -note: 't245' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: +note: 't467' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't243' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:19: + 1197 | + t489)*sc + | ^ +Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:19: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ -note: 't243' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: +note: 't464' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:13: + 1197 | + t489)*sc + | ^ +Warning: 't461' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:698:13: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ -note: 't242' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:95: +note: 't461' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't241' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: + 1197 | + t489)*sc + | ^ +Warning: 't458' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:91: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:89: + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't458' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: +Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:73: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't239' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:84: + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't452' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1178:31: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't239' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + 1178 | t986 = t212*t451 + | ^ +Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:67: - 2052 | *t560*t1394 - t239*t1404 + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't451' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1101:47: + + 1101 | t721 = t45**(-0.1666666667e1_dp) | ^ -Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:78: +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:61: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't236' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2059:32: + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 2059 | t1507 = t887*t231 - | ^ -Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:60: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:56: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't443' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't442' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:50: + + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't442' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:39: + + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't437' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:33: + + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't434' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:697:27: + + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^ +note: 't433' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:816:31: + + 816 | t147 = t3 - t146 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:71: + + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:66: + + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't429' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: + + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:60: + + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ -note: 't231' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2064:43: +note: 't428' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 2064 | t1524 = t865/t545/t230*t1522 - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:54: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:54: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ -note: 't230' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: +note: 't427' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:48: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:48: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2063:30: +note: 't425' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 2063 | t1522 = t228**2 - | ^ -Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:43: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:42: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't228' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't424' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:37: + 1135 | *t841 - t187*t851 + | ^ +Warning: 't420' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:36: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't227' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't420' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:857:75: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:31: + 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:30: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't226' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2057:41: + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: - 2057 | t1490 = 0.1e1_dp/t540/t224 - | ^ -Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:19: + 1135 | *t841 - t187*t851 + | ^ +Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:25: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^ +note: 't413' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: + + 1135 | *t841 - t187*t851 + | ^ +Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:696:19: + + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ -note: 't224' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: +note: 't412' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1110:31: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:13: + 1110 | t758 = t509*t407 + | ^ +Warning: 't407' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:95: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^ -note: 't221' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't407' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1115:41: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:94: + 1115 | t800 = t500/t405/t178*t798 + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:89: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't220' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1687:64: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't405' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:88: + 1165 | *t389*t573*t748 + | ^ +Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:83: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't217' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2045:63: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't404' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 2045 | *t508*t874 - 0.9531842928e0_dp*t214*t887 - | ^ -Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:82: + 1165 | *t389*t573*t748 + | ^ +Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:77: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't214' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't403' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1137:35: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:76: + 1137 | t863 = 0.1e1_dp/t400 + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:65: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't213' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2035:38: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't400' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1060:46: - 2035 | t1372 = t366*t212*t1371 - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:70: + 1060 | t613 = t4**(-0.2333333333e1_dp) + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:59: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't212' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2040:30: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 2040 | t1388 = t211**2 - | ^ -Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:64: + 1165 | *t389*t573*t748 + | ^ +Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:49: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't211' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't394' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:58: + 1165 | *t389*t573*t748 + | ^ +Warning: 't390' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:37: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't208' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't390' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:52: + 1165 | *t389*t573*t748 + | ^ +Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:31: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't207' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't389' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:46: + 1165 | *t389*t573*t748 + | ^ +Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:19: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't206' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't382' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't205' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:40: + 1165 | *t389*t573*t748 + | ^ +Warning: 't381' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:695:13: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't205' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2095:32: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^ +note: 't381' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 2095 | t1580 = t204*t591 - | ^ -Warning: 't204' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:27: + 1165 | *t389*t573*t748 + | ^ +Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:95: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^ -note: 't204' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't380' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1262:77: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:89: - 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^ -note: 't203' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't38' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 - | ^ -Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1262:64: + 1165 | *t389*t573*t748 + | ^ +Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:84: - 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^ -note: 't202' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't377' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1262:25: + 1165 | *t389*t573*t748 + | ^ +Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:78: - 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't376' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:72: + 1165 | *t389*t573*t748 + | ^ +Warning: 't373' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:72: - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ -note: 't196' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: +note: 't373' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1128:62: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:66: + 1128 | *t368*t509 - 0.9531842928e0_dp*t162*t522 + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:66: - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ -note: 't195' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:39: +note: 't368' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1125:31: - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^ -note: 't193' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 1125 | t838 = t365*t165 + | ^ +Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:60: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:33: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't365' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^ -note: 't192' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + 1165 | *t389*t573*t748 + | ^ +Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:54: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:27: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't364' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^ -note: 't191' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: + 1165 | *t389*t573*t748 + | ^ +Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:48: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1260:61: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't363' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1260 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & - | ^ -note: 't189' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + 1165 | *t389*t573*t748 + | ^ +Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:37: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1260:20: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't357' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1260 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & - | ^ -note: 't186' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1890:31: + 1165 | *t389*t573*t748 + | ^ +Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:31: - 1890 | t948 = t185*t371 + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ -Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1259:80: - - 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & - | ^ -note: 't185' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: +note: 't356' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1119:31: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1259:74: + 1119 | t810 = t353*t509 + | ^ +Warning: 't353' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:19: - 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & - | ^ -note: 't184' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't353' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1258:94: + 1197 | + t489)*sc + | ^ +Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:694:13: - 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1905:32: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^ +note: 't352' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: - 1905 | t1010 = t887*t179 - | ^ -Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1258:75: + 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:96: - 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & - | ^ -note: 't179' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1910:43: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't351' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 1910 | t1027 = t865/t432/t178*t1025 - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1258:34: + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:90: - 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & - | ^ -note: 't178' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1909:30: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't350' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1105:31: - 1909 | t1025 = t176**2 - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1257:72: + 1105 | t743 = t349*t202 + | ^ +Warning: 't349' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:84: - 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^ -note: 't176' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't349' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1257:52: + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:78: - 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^ -note: 't175' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't346' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1257:46: + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:72: - 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^ -note: 't174' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1903:40: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't343' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 1903 | t993 = 0.1e1_dp/t427/t172 - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1257:20: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:66: - 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^ -note: 't172' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1922:48: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't342' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 1922 | t1043 = t17**(-0.2333333333e1_dp) - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1256:94: + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:60: - 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't339' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1256:54: + 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc + | ^ +Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:54: - 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ -note: 't169' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: +note: 't337' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1256:48: + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:48: - 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ -note: 't168' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: +note: 't334' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1255:75: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:42: - 1255 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 - | ^ -note: 't167' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1622:54: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't333' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 1622 | t473*t435)*t51 - | ^ -Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1255:20: + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:36: - 1255 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 - | ^ -note: 't164' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1886:62: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't332' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 1886 | *t394*t874 - 0.9531842928e0_dp*t161*t887 - | ^ -Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1254:48: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:30: - 1254 | t1603, t1604, t1605, t1606, t1609, t161, t1610, t1611, t1613, t1615, t1620, t1622, t1626, & - | ^ -note: 't161' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't325' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1253:87: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't324' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:24: - 1253 | t1570, t1576, t1578, t1580, t1582, t1588, t159, t1590, t1593, t1599, t16, t160, t1602, & - | ^ -note: 't160' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1883:49: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't324' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 1883 | t905 = 0.1817120592e1_dp*t157*t371 - | ^ -Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:93: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:18: - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ -note: 't157' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_tb.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_cp2k_mm.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_tb.F input_cp2k_tb.F90 -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:80: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:693:13: - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ -note: 't156' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1869:36: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^ +note: 't319' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 1869 | t870 = t366*t155*t869 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:74: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:94: - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1877:29: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't316' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 1877 | t890 = t154**2 - | ^ -Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:68: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:88: - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ -note: 't154' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2039:32: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't315' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 2039 | t1383 = t151*t513 - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:20: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:82: - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't311' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:91: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't310' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:76: - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't150' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2029:83: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't310' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 2029 | *t750*t90*t91*t340 - 0.40e1_dp*t1125*t92 + 0.3600e2_dp*t1358 - | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:85: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:70: - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't309' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:66: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:64: - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't149' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't307' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:46: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:58: - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't148' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1940:32: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't306' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: - 1940 | t1086 = t147*t479 - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:33: + 1072 | *t531 - t130*t549 + | ^ +Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:52: - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't147' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2032:32: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't302' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:816:31: - 2032 | t1365 = t144*t591 - | ^ -Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:13: + 816 | t147 = t3 - t146 + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:46: - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^ -note: 't144' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2256:33: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 2256 | t2019 = t143*t1986 - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1250:94: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:42: - 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^ -note: 't143' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2204:32: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't299' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 2204 | t1858 = t802*t142 - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1250:88: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't296' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:36: - 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^ -note: 't142' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2098:32: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't296' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1064:31: - 2098 | t1590 = t141*t704 - | ^ -Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1250:82: + 1064 | t693 = t295*t508 + | ^ +Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:30: - 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^ -note: 't141' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1953:32: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't295' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: - 1953 | t1113 = t140*t355 - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1250:69: + 1072 | *t531 - t130*t549 + | ^ +Warning: 't292' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:24: - 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1949:28: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't292' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: - 1949 | t1096 - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1249:82: + 1072 | *t531 - t130*t549 + | ^ +Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:692:18: - 1249 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & - | ^ -note: 't137' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^ +note: 't291' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1055:31: - 2194 | *t725*t371 - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1249:41: + 1055 | t589 = t509*t286 + | ^ +Warning: 't286' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:90: - 1249 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't286' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1059:41: - 2228 | *t1094 - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:56: + 1059 | t603 = t500/t284/t119*t601 + | ^ +Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:84: - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1719:31: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't284' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1719 | t636 = t635*t131 - | ^ -Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:44: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:78: - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^ -note: 't131' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1865:40: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't283' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1865 | t864 = 0.1e1_dp/t370/t130 + 1099 | *bp*t625*t565*t559 | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:38: +Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:72: - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2021:35: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't282' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1056:29: - 2021 | t1346 = t13*af*t1344 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:32: + 1056 | t595 = t279**2 + | ^ +Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:60: - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't279' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 2194 | *t725*t371 - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:20: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:48: - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^ -note: 't129' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1529:56: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't273' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: - 1529 | t55 + t93 + t127)*sc - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1247:94: + 1072 | *t531 - t130*t549 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:36: - 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2253:29: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 2253 | *t1979 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1247:88: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:31: - 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2253:29: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't269' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 2253 | *t1979 - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1247:68: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:25: - 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't268' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1247:27: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:691:13: - 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2247:32: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^ +note: 't261' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 2247 | t1999 = t1998*t12 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1246:74: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:97: - 1246 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't260' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1062:39: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1246:27: + 1062 | t665 = t26**(-0.40e1_dp) + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:91: - 1246 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1244:72: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:86: - 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^ -note: 't111' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1993:41: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't259' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 1993 | t1299 = t110**(-0.40e1_dp) - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1244:52: + 1165 | *t389*t573*t748 + | ^ +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:80: - 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1547:30: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't258' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1547 | t356 = t11*t355 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1244:46: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:74: - 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't255' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1244:20: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:68: - 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1727:40: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't254' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 1727 | t656 = 0.1e1_dp/t654/t101 + 1099 | *bp*t625*t565*t559 | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1242:90: +Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:62: - 1242 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1398:31: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't251' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1047:62: - 1398 | t133 = t3 - t132 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1242:78: + 1047 | *t246*t509 - 0.9531842928e0_dp*t102*t522 + | ^ +Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:51: - 1242 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & - | ^ -note: 't1' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_libxc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_pbe.mod' due to: xc_pbe.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod xc_input_constants.mod mathconstants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_b97.mod' due to: xc_b97.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod xc_input_constants.mod mathconstants.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_tb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_perdew_zunger.mod' due to: xc_perdew_zunger.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod bibliography.mod xc_input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_lyp.mod' due to: xc_lyp.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbecke_roussel.mod' due to: xc_xbecke_roussel.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5671:94: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't246' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: - 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) - | ^ -Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbecke88.mod' due to: xc_xbecke88.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod -true -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3656:76: + 1135 | *t841 - t187*t851 + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:45: - 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & - | ^ -note: 'dqrho' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5671:94: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't245' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) - | ^ -Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3656:69: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:690:27: - 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & - | ^ -note: 'dqndrho' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4437:97: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^ +note: 't241' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1043:49: - 4437 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t322*t696 - t80*(t1652 + t1860)*Clda)*sx - | ^ -Warning: 't696' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3692:31: + 1043 | t538 = 0.1211413728e1_dp*t240*t508 + | ^ +Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:72: - 3692 | t690, t691, t695, t696, t698, t699, t7, t70, t704, t705, t706, t708, t709, t71, t712, & + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't240' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:66: + + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't24' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1040:31: + + 1040 | t528 = t237*t105 | ^ -note: 't696' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:61: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't691' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3692:19: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't237' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 3692 | t690, t691, t695, t696, t698, t699, t7, t70, t704, t705, t706, t708, t709, t71, t712, & - | ^ -note: 't691' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:55: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't690' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3692:13: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't236' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 3692 | t690, t691, t695, t696, t698, t699, t7, t70, t704, t705, t706, t708, t709, t71, t712, & - | ^ -note: 't690' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:49: - 4383 | *t320 - | ^ -Warning: 't684' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:85: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't235' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1121:31: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ -note: 't684' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: + 1121 | t820 = t231*t165 + | ^ +Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:43: - 4468 | - (4._dp*t568*t570) - | ^ -Warning: 't681' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:79: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't231' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ -note: 't681' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: + 1197 | + t489)*sc + | ^ +Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:37: - 4383 | *t320 - | ^ -Warning: 't677' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:68: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't230' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ -note: 't677' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:31: - 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) - | ^ -Warning: 't673' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:62: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't226' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ -note: 't673' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:25: - 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) - | ^ -Warning: 't670' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:56: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't225' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1117:31: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ -note: 't670' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: + 1117 | t807 = t222*t165 + | ^ +Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:689:13: - 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) - | ^ -Warning: 't664' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:45: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^ +note: 't222' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ -note: 't664' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: + 1197 | + t489)*sc + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:94: - 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) - | ^ -Warning: 't661' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:39: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't221' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1026:39: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + 1026 | t499 = 0.1e1_dp/t220/t90 | ^ -note: 't661' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - - 4383 | *t320 - | ^ -Warning: 't656' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:33: +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:88: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ -note: 't656' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't220' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1033:31: - 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) - | ^ -Warning: 't652' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:27: + 1033 | t510 = t217*t509 + | ^ +Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:70: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ -note: 't652' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4384:27: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't217' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1118:36: - 4384 | t1675 = t1241*t651 - | ^ -Warning: 't651' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:77: + 1118 | t808 = t216*t160*t807 + | ^ +Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:64: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ -note: 't651' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't216' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1020:102: - 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) - | ^ -Warning: 't649' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:66: + 1020 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:58: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ -note: 't649' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't213' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1178:31: - 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) - | ^ -Warning: 't638' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:60: + 1178 | t986 = t212*t451 + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:52: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ -note: 't638' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4390:27: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't212' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1205:101: - 4390 | t1695 = t1203*t637 - | ^ -Warning: 't637' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:54: + 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc + | ^ +Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:41: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ -note: 't637' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't209' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) - | ^ -Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:48: + 1197 | + t489)*sc + | ^ +Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:35: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ -note: 't635' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't206' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:998:102: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't629' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:37: + 998 | e_aa(ip) = e_aa(ip) + ((t332 + t350 + t352 + t452)*t2 + t455 + 0.2e1_dp*t155 + t457)*sc + | ^ +Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:29: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ -note: 't629' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't203' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1186:106: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ -Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:25: +Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:23: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ -note: 't627' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4412:26: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't202' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:857:75: - 4412 | t1781 = t176*t626 - | ^ -Warning: 't626' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:19: + 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:17: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ -note: 't626' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^ +note: 't2' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't623' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:13: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:688:13: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ -note: 't623' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4364:26: +note: 't194' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 4364 | t1583 = t621*t142 - | ^ -Warning: 't621' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:93: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:96: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't621' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't193' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:993:67: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't617' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:87: + 993 | *t443*t408)*t80) - t332 + | ^ +Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:90: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't617' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't191' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't616' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:81: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:84: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't616' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't190' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't612' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:75: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:73: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't612' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't189' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't611' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:69: + 1135 | *t841 - t187*t851 + | ^ +Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:67: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't611' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't187' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't610' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:63: + 1135 | *t841 - t187*t851 + | ^ +Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:61: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't610' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't184' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1136:31: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't608' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:52: + 1136 | t860 = t509*t179 + | ^ +Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:43: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't608' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4348:47: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't179' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1115:41: - 4348 | + t1079*t210*t1080*t316) - | ^ -Warning: 't607' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:46: + 1115 | t800 = t500/t405/t178*t798 + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:37: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't607' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't178' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1114:29: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't604' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:40: + 1114 | t798 = t176**2 + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:31: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't604' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't176' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't599' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:19: + 1165 | *t389*t573*t748 + | ^ +Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:25: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't599' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't175' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't596' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:13: + 1165 | *t389*t573*t748 + | ^ +Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:687:19: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ -note: 't596' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^ +note: 't174' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1138:40: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't595' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:95: + 1138 | t872 = 0.1e1_dp/t400/t172 + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:95: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't595' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: +note: 't172' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:89: + 1165 | *t389*t573*t748 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:89: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't593' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: +note: 't169' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't592' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:83: + 1165 | *t389*t573*t748 + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:83: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't592' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: +note: 't168' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:77: + 1165 | *t389*t573*t748 + | ^ +Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:77: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't590' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: +note: 't165' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1128:62: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't589' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:71: + 1128 | *t368*t509 - 0.9531842928e0_dp*t162*t522 + | ^ +Warning: 't162' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:71: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't589' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: +note: 't162' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:65: + 1165 | *t389*t573*t748 + | ^ +Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:65: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't586' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: +note: 't161' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1118:36: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't584' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:59: + 1118 | t808 = t216*t160*t807 + | ^ +Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:59: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't584' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: +note: 't160' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:899:39: - 4468 | - (4._dp*t568*t570) - | ^ -Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:48: + 899 | t281 = 0.1e1_dp/t279/t16 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:53: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1123:29: + + 1123 | t835 = t159**2 + | ^ +Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:48: + + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't570' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: +note: 't159' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: - 4468 | - (4._dp*t568*t570) - | ^ -Warning: 't568' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:42: + 1165 | *t389*t573*t748 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:42: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't568' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: +note: 't156' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:998:102: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:36: + 998 | e_aa(ip) = e_aa(ip) + ((t332 + t350 + t352 + t452)*t2 + t455 + 0.2e1_dp*t155 + t457)*sc + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:36: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't567' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4439:111: +note: 't155' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1106:31: - 4439 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) - | ^ -Warning: 't565' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:30: + 1106 | t745 = t154*t451 + | ^ +Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:30: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't565' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: +note: 't154' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1174:89: - 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) - | ^ -Warning: 't564' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:24: + 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:24: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't564' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: +note: 't151' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) - | ^ -Warning: 't561' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:18: + 1197 | + t489)*sc + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:686:18: - 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ -note: 't561' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4331:64: +note: 't150' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 4331 | - t80*(t1189 + t1408)*Clda)*sx - | ^ -Warning: 't555' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:95: + 1197 | + t489)*sc + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:96: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't555' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't147' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1197:50: - 4383 | *t320 - | ^ -Warning: 't550' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1197 | + t489)*sc + | ^ +Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:84: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't997' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:30: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't145' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:998:102: - 401 | t99, t991, t995, t997, xx - | ^ -note: 't997' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54: + 998 | e_aa(ip) = e_aa(ip) + ((t332 + t350 + t352 + t452)*t2 + t455 + 0.2e1_dp*t155 + t457)*sc + | ^ +Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:78: - 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 - | ^ -Warning: 't995' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:83: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't144' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't550' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:24: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:67: - 401 | t99, t991, t995, t997, xx - | ^ -note: 't995' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't137' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't549' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:61: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't991' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:18: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't136' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 401 | t99, t991, t995, t997, xx - | ^ -note: 't991' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:55: - 2260 | *t105*t5118 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:72: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't134' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't549' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:12: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:49: - 401 | t99, t991, t995, t997, xx - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4319:27: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: - 4319 | t1402 = t548*t1401 - | ^ -Warning: 't548' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:43: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't987' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:95: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't132' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't987' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 1072 | *t531 - t130*t549 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:37: - 1832 | *t3339 - | ^ -Warning: 't984' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:89: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't130' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1149:51: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't984' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:66: + 1149 | - 0.1588640487e1_dp*t437*t860 + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:31: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't548' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1065:31: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't980' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:77: + 1065 | t696 = t126*t221 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:25: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't980' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't546' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:64: + 1072 | *t531 - t130*t549 + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:685:19: - 2425 | - 0.80e1_dp*t5565 + t5568 + t5572 + t5574 - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:71: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1054:31: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1054 | t583 = t522*t120 + | ^ +Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:91: - 1866 | *t339*t969 - | ^ -Warning: 't976' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:60: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't120' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1059:41: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't546' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 1059 | t603 = t500/t284/t119*t601 + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:85: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:54: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1058:29: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't545' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4316:30: + 1058 | t601 = t117**2 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:79: - 4316 | t1393 = t75/t544/t199 - | ^ -Warning: 't544' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:48: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't544' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4255:21: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:73: - 4255 | *t58 - | ^ -Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:31: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't539' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:67: - 4436 | *t461*t320) - (2._dp*t91*t344*t875) - | ^ -Warning: 't538' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:25: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1049:40: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't538' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: + 1049 | t563 = 0.1e1_dp/t279/t113 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:55: - 4329 | *t199*t285 + t550*t285)) - | ^ -Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:19: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ -note: 't537' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:49: - 4383 | *t320 - | ^ -Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:13: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1072:39: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + 1072 | *t531 - t130*t549 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:43: + + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1165:37: + + 1165 | *t389*t573*t748 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:38: + + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:32: + + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1083:51: + + 1083 | t133*t10 + 0.2e1_dp*t307*t105 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:26: + + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1047:62: + + 1047 | *t246*t509 - 0.9531842928e0_dp*t102*t522 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:684:13: + + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ -note: 't534' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1135:39: - 4383 | *t320 - | ^ -Warning: 't533' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:97: + 1135 | *t841 - t187*t851 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:683:85: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + 683 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1099:40: + + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:683:73: + + 683 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_hcth.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_log_handling.mod mathconstants.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_hcth.F xc_hcth.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5671:94: + + 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) + | ^ +Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:76: + + 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^ +note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5671:94: + + 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) + | ^ +Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:69: + + 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^ +note: 'dqndrho' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5153:97: + + 5153 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx | ^ -note: 't533' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: +Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4562:36: - 4468 | - (4._dp*t568*t570) + 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & | ^ -Warning: 't532' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:91: - - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't532' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: +note: 't545' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) - | ^ -Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:85: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4562:24: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't531' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: + 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & + | ^ +note: 't540' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4383 | *t320 - | ^ -Warning: 't528' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:79: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4562:13: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't528' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: + 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & + | ^ +note: 't539' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 4329 | *t199*t285 + t550*t285)) - | ^ -Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:73: + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't533' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:88: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't526' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ +note: 't533' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5202:132: - 4383 | *t320 - | ^ -Warning: 't523' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:67: + 5202 | *t155*t44*t772) + | ^ +Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:82: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't523' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ +note: 't530' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 4329 | *t199*t285 + t550*t285)) - | ^ -Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:61: + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:76: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't521' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4426:65: + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ +note: 't526' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - 4426 | *t1739 + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t1712) - | ^ -Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:55: + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't522' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:70: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't517' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4494:68: + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ +note: 't522' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - 4494 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) - | ^ -Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:49: + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:64: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't516' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4426:65: + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ +note: 't519' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - 4426 | *t1739 + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t1712) - | ^ + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:43: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:58: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ note: 't513' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4302:78: - - 4302 | t478*t512*t969) - | ^ -Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't512' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4285:38: + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't510' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:52: - 4285 | (t511)*(t516)*(t1260) - | ^ -Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:31: + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ +note: 't510' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + 5152 | *t155*t44*t726 | ^ -note: 't511' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4419:70: - - 4419 | t1796*t1762 + 0.5e1_dp/0.2e1_dp*(t499)*(t504)*(t1632) - | ^ Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:25: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:46: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ note: 't505' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4488:25: - - 4488 | *(t1886) - | ^ -Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:19: - - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ -note: 't504' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4419:70: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - 4419 | t1796*t1762 + 0.5e1_dp/0.2e1_dp*(t499)*(t504)*(t1632) - | ^ + 5116 | *t487 + t1205*t342 + | ^ Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:13: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:40: - 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & - | ^ + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ note: 't501' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4312:31: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5109:26: - 4312 | *(t457)*(t933) - | ^ + 5109 | t1288 = t864*t500 + | ^ Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:93: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:34: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ note: 't500' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4285:38: - - 4285 | (t511)*(t516)*(t1260) - | ^ -Warning: 't499' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:83: - - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't499' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - 4329 | *t199*t285 + t550*t285)) - | ^ -Warning: 't493' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:77: + 5116 | *t487 + t1205*t342 + | ^ +Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:24: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't493' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ +note: 't498' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - 4329 | *t199*t285 + t550*t285)) - | ^ -Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:71: + 5116 | *t487 + t1205*t342 + | ^ +Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:13: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't490' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ +note: 't487' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5083:26: - 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) - | ^ + 5083 | t1181 = t931*t486 + | ^ Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:60: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:95: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ note: 't486' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4270:27: - - 4270 | t1242 = t1241*t485 - | ^ -Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:54: - - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't485' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: - 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) - | ^ + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:48: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:89: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ note: 't484' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) - | ^ -Warning: 't483' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:42: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:78: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't483' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't478' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) - | ^ -Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:36: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't476' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:66: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't480' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4494:68: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't476' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5128:26: - 4494 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:25: + 5128 | t1382 = t136*t475 + | ^ +Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:60: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't479' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't475' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5158:90: - 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) - | ^ -Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:19: + 5158 | *t19 + 12._dp*g3*t1*t24*t32) + | ^ +Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:54: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't478' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4302:78: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't473' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4302 | t478*t512*t969) - | ^ -Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:13: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:48: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ -note: 't471' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't472' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) - | ^ -Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:92: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't469' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:42: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't470' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4302:78: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't469' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4302 | t478*t512*t969) - | ^ -Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:86: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't468' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:36: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't466' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't468' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:80: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:30: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't463' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4259:27: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't465' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4259 | t1204 = t1203*t462 - | ^ -Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:74: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:24: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't462' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4302:78: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't464' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4302 | t478*t512*t969) - | ^ -Warning: 't461' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:68: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:13: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't461' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ +note: 't459' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) - | ^ + 5183 | *t421*t422*t1533 + | ^ Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:92: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ note: 't457' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4404:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5136:26: - 4404 | t1762 = t456*t168*t1687 - | ^ + 5136 | t1413 = t140*t456 + | ^ Warning: 't456' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:51: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:86: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ note: 't456' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: - - 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) - | ^ -Warning: 't453' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:45: - - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't453' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4312:31: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5161:111: - 4312 | *(t457)*(t933) - | ^ -Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:39: + 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) + | ^ +Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:80: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't452' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4488:25: + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ +note: 't454' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - 4488 | *(t1886) - | ^ -Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:33: + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't453' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:74: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't451' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ +note: 't453' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - 4436 | *t461*t320) - (2._dp*t91*t344*t875) - | ^ -Warning: 't445' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:27: + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:68: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ -note: 't445' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4255:21: + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ +note: 't450' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5075:64: - 4255 | *t58 - | ^ + 5075 | - t80*(t1074 + t1118)*Clda)*sx + | ^ Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:72: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:62: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ note: 't444' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - - 4383 | *t320 - | ^ -Warning: 't442' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:60: - - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ -note: 't442' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4304:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: - 4304 | t1350 = t151*t441 - | ^ -Warning: 't441' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:54: + 5152 | *t155*t44*t726 + | ^ +Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:45: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ -note: 't441' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4367:49: + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ +note: 't439' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4367 | 0.7e1_dp/0.2e1_dp*t435*t437*t875 - | ^ + 5183 | *t421*t422*t1533 + | ^ Warning: 't438' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:43: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:39: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ note: 't438' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4367:49: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5049:27: - 4367 | 0.7e1_dp/0.2e1_dp*t435*t437*t875 - | ^ + 5049 | t1049 = t437*t1048 + | ^ Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:33: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ note: 't437' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4367:49: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4367 | 0.7e1_dp/0.2e1_dp*t435*t437*t875 - | ^ + 5183 | *t421*t422*t1533 + | ^ Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:31: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:27: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ note: 't435' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4223:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4223 | t1143 = t433*t142 - | ^ -Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:25: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:78: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ -note: 't433' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ +note: 't434' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5046:30: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:19: + 5046 | t1040 = t75/t433/t160 + | ^ +Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:72: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ -note: 't429' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ +note: 't433' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 4241 | *(t435)*(t437)*(t976) - | ^ + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:13: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:60: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ note: 't428' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:95: + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:54: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ -note: 't424' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ +note: 't427' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4241 | *(t435)*(t437)*(t976) - | ^ + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't426' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:48: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ +note: 't426' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:89: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:42: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ note: 't423' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ + 5152 | *t155*t44*t726 + | ^ Warning: 't422' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:83: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:36: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ note: 't422' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't420' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:77: - - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ -note: 't420' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4171 | - t249*t210*t872 - | ^ -Warning: 't419' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:66: + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:30: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ -note: 't419' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ +note: 't421' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5052:26: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:60: + 5052 | t1071 = t330*t420 + | ^ +Warning: 't420' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:24: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ -note: 't418' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ +note: 't420' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 4241 | *(t435)*(t437)*(t976) - | ^ + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:54: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:13: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ note: 't417' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5062:107: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:48: + 5062 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) + | ^ +Warning: 't415' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:93: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ -note: 't416' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ +note: 't415' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:37: + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:87: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ -note: 't408' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ +note: 't412' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4241 | *(t435)*(t437)*(t976) - | ^ + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't410' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:81: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ +note: 't410' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5142:58: + + 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) + | ^ Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:31: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:70: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ note: 't406' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5189:80: - 4241 | *(t435)*(t437)*(t976) - | ^ + 5189 | *t367*t405*t1552) + | ^ Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:25: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:64: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ note: 't405' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4217:31: - - 4217 | t1101 = t125*t404*t129 - | ^ -Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:19: - - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ -note: 't404' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5142:58: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:13: + 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:58: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ -note: 't403' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4348:47: + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ +note: 't402' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5041:24: - 4348 | + t1079*t210*t1080*t316) - | ^ + 5041 | *(t872) + | ^ Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:94: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:52: - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ note: 't401' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5041:24: - 4241 | *(t435)*(t437)*(t976) - | ^ + 5041 | *(t872) + | ^ Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:88: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:46: - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ note: 't400' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4214:26: - - 4214 | t1079 = t399*t877 - | ^ -Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:78: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5135:65: - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ -note: 't399' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 5135 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) + | ^ +Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:36: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:66: + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ +note: 't394' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5196:67: - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ -note: 't397' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4212:30: + 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:30: - 4212 | t1065 = t96*t115*t391 + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & | ^ -Warning: 't391' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:48: - - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ -note: 't391' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:37: - - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ -note: 't388' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:31: - - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ -note: 't384' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4119:23: +note: 't393' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5135:65: - 4119 | t713 = t4*t381 - | ^ -Warning: 't381' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:19: + 5135 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) + | ^ +Warning: 't390' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:24: - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ -note: 't381' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4210:65: + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ +note: 't390' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 4210 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 - | ^ -Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:13: + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:13: - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & | ^ -note: 't380' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: +note: 't389' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5041:24: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:90: + 5041 | *(t872) + | ^ +Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:95: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & - | ^ -note: 't379' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^ +note: 't388' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:84: + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:89: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & - | ^ -note: 't377' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4210:65: + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^ +note: 't382' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4210 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 - | ^ -Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:78: + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:78: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & | ^ -note: 't376' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: +note: 't379' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:72: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:72: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & | ^ note: 't375' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4999:25: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ + 4999 | t865 = t864*t374 + | ^ Warning: 't374' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:66: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & | ^ note: 't374' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4337:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: - 4337 | t1480 = t589*t373 - | ^ + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ Warning: 't373' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:60: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:60: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & | ^ note: 't373' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:60: - - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't976' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4210:65: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - 4210 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 - | ^ -Warning: 't370' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:54: + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:54: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & | ^ -note: 't370' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: +note: 't372' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ + 5116 | *t487 + t1205*t342 + | ^ Warning: 't369' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:48: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:48: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & | ^ note: 't369' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4996:116: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 4996 | *t807) + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:42: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't974' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:36: + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^ +note: 't368' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & - | ^ -note: 't365' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:48: + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ +Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:36: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't974' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^ +note: 't367' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4996:116: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:30: + 4996 | *t807) + | ^ +Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:30: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & | ^ -note: 't364' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - - 1866 | *t339*t969 - | ^ -Warning: 't973' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4194:24: - - 4194 | t967 = t361*t82 - | ^ -Warning: 't361' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:42: - - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't973' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:24: - - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & - | ^ -note: 't361' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: +note: 't360' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ + 5116 | *t487 + t1205*t342 + | ^ Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:13: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:19: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & - | ^ + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^ note: 't359' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2416:60: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4996:116: - 2416 | t5558 = 0.320e2_dp*t5060*t97*t104*my_rho*t233 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: + 4996 | *t807) + | ^ +Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:13: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:30: + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^ +note: 't355' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:95: + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ +Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:95: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & | ^ note: 't352' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: - - 4436 | *t461*t320) - (2._dp*t91*t344*t875) - | ^ -Warning: 't345' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:84: - - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & - | ^ -note: 't345' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: - 1866 | *t339*t969 - | ^ -Warning: 't969' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:25: + 5152 | *t155*t44*t726 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:89: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't969' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4255:21: + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^ +note: 't351' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4996:116: - 4255 | *t58 - | ^ -Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:78: + 4996 | *t807) + | ^ +Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:83: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & - | ^ -note: 't344' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^ +note: 't350' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5099:61: - 4436 | *t461*t320) - (2._dp*t91*t344*t875) - | ^ -Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:72: + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ +Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:72: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & | ^ -note: 't342' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't966' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:19: - - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't966' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: +note: 't346' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5050:31: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:66: + 5050 | t1065 = t106*t333*t345 + | ^ +Warning: 't345' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:66: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & | ^ -note: 't341' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: - - 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) - | ^ -Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:55: - - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & - | ^ -note: 't339' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - - 1832 | *t3339 - | ^ -Warning: 't963' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:13: - - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't963' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4193:132: +note: 't345' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - 4193 | *t759*t68 - 2._dp*t335*t278 + 2._dp*t85*t769 - t85*t804)) - | ^ -Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:49: + 5116 | *t487 + t1205*t342 + | ^ +Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:60: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & - | ^ -note: 't338' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^ +note: 't342' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5023:23: - 1866 | *t339*t969 - | ^ -Warning: 't962' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: + 5023 | *(t939) + | ^ +Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:54: - 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) - | ^ -Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:43: + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^ +note: 't341' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5196:67: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & - | ^ -note: 't335' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:92: + 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) + | ^ +Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:48: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't962' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^ +note: 't340' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: - 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) - | ^ -Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:37: + 5152 | *t155*t44*t726 + | ^ +Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:37: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & | ^ -note: 't332' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: +note: 't334' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) - | ^ -Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:31: + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:31: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & | ^ -note: 't329' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4193:132: +note: 't333' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4969:33: - 4193 | *t759*t68 - 2._dp*t335*t278 + 2._dp*t85*t769 - t85*t804)) - | ^ -Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:25: + 4969 | t782 = 0.1e1_dp/t332/t82 + | ^ +Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:25: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & | ^ -note: 't328' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - - 1832 | *t3339 - | ^ -Warning: 't959' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:86: - - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't959' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:19: - - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & - | ^ -note: 't325' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4437:97: +note: 't332' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5064:26: - 4437 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t322*t696 - t80*(t1652 + t1860)*Clda)*sx - | ^ -Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:13: + 5064 | t1089 = t330*t333 + | ^ +Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:13: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & | ^ -note: 't322' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't955' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: +note: 't330' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5024:25: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:74: + 5024 | t956 = t136*t329 + | ^ +Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:95: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't955' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:93: + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ +note: 't329' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ -note: 't320' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4184:26: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:89: - 4184 | *t210*t917 - | ^ -Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:82: + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ +note: 't327' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ -note: 't318' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4184:26: + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:83: - 4184 | *t210*t917 - | ^ -Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:76: + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ +note: 't326' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ -note: 't317' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2430:56: + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:77: - 2430 | t5593 = 0.1066666667e2_dp*t321*t953*t5087 - | ^ -Warning: 't953' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4348:47: + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ +note: 't321' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: - 4348 | + t1079*t210*t1080*t316) - | ^ + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:62: - - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't953' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:70: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:66: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ note: 't316' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4164 | (48._dp*t313*t274) - | ^ + 5080 | - (16._dp*t469*t203)) + | ^ Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:64: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:60: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ note: 't313' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - - 4164 | (48._dp*t313*t274) - | ^ -Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 1866 | *t339*t969 - | ^ -Warning: 't950' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:53: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't310' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:54: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ -note: 't309' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:56: + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ +note: 't310' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't950' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:43: - 4164 | (48._dp*t313*t274) - | ^ -Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:47: + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ +note: 't309' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ -note: 't308' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:612:38: + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:37: - 612 | t341 = 0.1e1_dp/t19/t95 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ +note: 't306' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4164 | (48._dp*t313*t274) - | ^ + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:50: - - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:41: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:31: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ note: 't305' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: - 4164 | (48._dp*t313*t274) - | ^ -Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:35: + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't303' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:25: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ -note: 't304' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4184:26: + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ +note: 't303' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5028:25: - 4184 | *t210*t917 - | ^ + 5028 | t985 = t140*t302 + | ^ Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - - 1866 | *t339*t969 - | ^ -Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:29: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:19: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ note: 't302' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - - 4171 | - t249*t210*t872 - | ^ -Warning: 't301' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:45: - - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't949' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:23: - - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ -note: 't301' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4349:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - 4349 | t1562 = t300*t251 - | ^ + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:17: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:13: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ note: 't300' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: - - 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't946' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:97: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4989:132: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ -note: 't297' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:39: + 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) + | ^ +Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:89: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^ -note: 't946' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ +note: 't299' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) - | ^ + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ Warning: 't296' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:91: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:83: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ note: 't296' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - - 1858 | *t321*t953*t1625 - | ^ -Warning: 't941' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - 4180 | a5*t21*t54*t65 - | ^ -Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:76: + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:77: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't941' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:85: + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ +note: 't293' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ -note: 't295' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:71: - 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) - | ^ -Warning: 't292' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:79: + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ +note: 't290' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4989:132: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ -note: 't292' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: + 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) + | ^ +Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:60: - 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) - | ^ -Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1844:31: + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ +note: 't289' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5152:31: - 1844 | t3682 = t24*t940 + 5152 | *t155*t44*t726 | ^ -Warning: 't940' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:73: - - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ -note: 't291' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:70: - - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't940' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - - 4171 | - t249*t210*t872 - | ^ -Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:62: - - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ -note: 't288' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70: - - 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4160:24: +Warning: 't286' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:54: - 4160 | t849 = t287*t18 - | ^ -Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:64: + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ +note: 't286' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5153:97: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:56: + 5153 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx + | ^ +Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:48: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ -note: 't287' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ +note: 't283' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4329 | *t199*t285 + t550*t285)) - | ^ -Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:50: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:42: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ -note: 't285' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ +note: 't281' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: - 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 - | ^ + 4966 | t171*t752 - t210*t171*t769 + | ^ Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:31: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ note: 't279' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - - 1866 | *t339*t969 - | ^ -Warning: 't930' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: - 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) - | ^ + 4966 | t171*t752 - t210*t171*t769 + | ^ Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:27: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:25: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ note: 't278' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: - 4241 | *(t435)*(t437)*(t976) - | ^ + 4956 | t171*t706 - t210*t171*t723 + | ^ Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:72: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:19: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ note: 't277' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:59: - - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't930' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: - 4164 | (48._dp*t313*t274) - | ^ + 4950 | t229) - (48._dp*t274*t235)) + | ^ Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:13: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ note: 't274' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: - 4164 | (48._dp*t313*t274) - | ^ -Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:55: + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:92: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ -note: 't268' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ +note: 't270' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: - 4148 | t63) - | ^ + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:81: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ +note: 't269' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + + 4950 | t229) - (48._dp*t274*t235)) + | ^ Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:49: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:75: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ note: 't266' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: - 4164 | (48._dp*t313*t274) - | ^ + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:69: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ +note: 't265' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: + + 4966 | t171*t752 - t210*t171*t769 + | ^ +Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:63: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ +note: 't263' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: + + 4956 | t171*t706 - t210*t171*t723 + | ^ Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:43: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:57: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ note: 't262' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2418:50: - - 2418 | t5562 = 0.5866666667e2_dp*t93*t4820 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4943:24: - 4148 | t63) - | ^ + 4943 | t667 = t14*t261 + | ^ Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:51: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ note: 't261' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4945:72: - 4148 | t63) - | ^ -Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:31: + 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) + | ^ +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:45: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ -note: 't260' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:53: + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ +note: 't258' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4945:72: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: + 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) + | ^ +Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:39: - 4164 | (48._dp*t313*t274) - | ^ -Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:25: + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ +note: 't257' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ -note: 't259' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: + 4963 | + 30._dp*a5*t21*t54*t65) + | ^ +Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:33: - 4383 | *t320 - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:19: + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ +note: 't256' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4945:72: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ -note: 't258' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: + 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) + | ^ +Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:27: - 4148 | t63) - | ^ + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ +note: 't253' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4945:72: + + 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) + | ^ Warning: 't252' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:13: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:71: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^ note: 't252' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4149:25: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: - 4149 | t804 = t251*t803 - | ^ -Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 4956 | t171*t706 - t210*t171*t723 + | ^ +Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:60: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't929' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:95: + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^ +note: 't249' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4946:24: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't251' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:48: + 4946 | t700 = t248*t18 + | ^ +Warning: 't248' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:54: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^ +note: 't248' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5062:107: + + 5062 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) + | ^ +Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:48: + + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 | ^ -note: 't929' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4139:33: +note: 't246' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: - 4139 | t767 = 0.1e1_dp/t250/t67 - | ^ -Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:89: + 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 + | ^ +Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:36: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't250' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^ +note: 't240' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5103:132: - 4171 | - t249*t210*t872 - | ^ -Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:78: + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't239' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:25: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't249' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^ +note: 't239' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: - 4171 | - t249*t210*t872 - | ^ -Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:66: + 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 + | ^ +Warning: 't238' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:19: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^ +note: 't238' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:13: + + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^ +note: 't235' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: + + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't229' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:89: + + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't229' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: + + 4937 | /t12*t63)) | ^ -note: 't247' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: +Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:83: - 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 - | ^ -Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:60: + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't227' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't246' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4221:26: + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't223' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:77: - 4221 | t1121 = t245*t251 - | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't223' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 1894 | *t165*t3865*t237 - | ^ -Warning: 't922' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:54: + 4937 | /t12*t63)) + | ^ +Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:71: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't245' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't222' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4164 | (48._dp*t313*t274) - | ^ -Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:30: + 4937 | /t12*t63)) + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:65: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't922' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:48: + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't221' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4950:132: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:59: + + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't220' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:48: + + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & | ^ -note: 't242' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: +note: 't219' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4164 | (48._dp*t313*t274) - | ^ -Warning: 't238' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:37: + 4937 | /t12*t63)) + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:42: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't238' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4129:25: + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't213' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: - 4129 | t748 = t237*t231 - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:597:30: + 4963 | + 30._dp*a5*t21*t54*t65) + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:36: - 597 | t309 = t308*t92 + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't212' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4928:33: + + 4928 | t618 = 0.1e1_dp/t211/t67 + | ^ +Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:30: + + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:31: +note: 't211' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't237' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: + 4956 | t171*t706 - t210*t171*t723 + | ^ +Warning: 't210' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:24: - 4135 | *t25*t756) - | ^ -Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:25: + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ +note: 't210' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't236' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: + 4956 | t171*t706 - t210*t171*t723 + | ^ +Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:94: - 4164 | (48._dp*t313*t274) - | ^ -Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:19: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't208' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't235' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:24: + 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:88: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4255:21: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't207' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4904:24: - 4255 | *t58 - | ^ -Warning: 't234' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:13: + 4904 | t558 = t14*t206 + | ^ +Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:82: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ -note: 't234' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't206' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) - | ^ -Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:79: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:76: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't228' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't203' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:73: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:66: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't227' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't199' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4920:25: - 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) - | ^ -Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:67: + 4920 | t599 = t198*t192 + | ^ +Warning: 't198' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:60: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't224' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't198' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4925:64: - 4135 | *t25*t756) - | ^ -Warning: 't223' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:61: + 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) + | ^ +Warning: 't197' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:54: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't223' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't197' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:55: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:48: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't222' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't196' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5062:107: - 4171 | - t249*t210*t872 - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: + 5062 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) + | ^ +Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:42: - 2080 | *t289*t294*t1553 - | ^ -Warning: 't918' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:38: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't195' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't219' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:19: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:19: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & | ^ -note: 't918' was declared here -/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:435:57: +note: 't189' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4912:23: - 435 | ps_implicit_env%ehartree = ehartree/vol_scfac - | ^ -Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F:340:69: + 4912 | t576 = t4*t188 + | ^ +Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:13: - 340 | vol_scfac - | ^ -note: 'vol_scfac' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't188' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't914' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:13: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:95: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^ -note: 't914' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't185' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4925:64: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't907' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) + | ^ +Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:89: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:32: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't184' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5080:117: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't218' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:83: - 4329 | *t199*t285 + t550*t285)) - | ^ -Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:19: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't183' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't217' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: + 4956 | t171*t706 - t210*t171*t723 + | ^ +Warning: 't180' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:71: - 4148 | t63) - | ^ -Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:94: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't180' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4989:132: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't907' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:13: + 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) + | ^ +Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:60: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ -note: 't216' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't179' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4171 | - t249*t210*t872 - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:76: + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:54: - 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & - | ^ -note: 't213' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't178' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 + 4937 | /t12*t63)) + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:48: + + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't177' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: + + 4956 | t171*t706 - t210*t171*t723 + | ^ +Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:36: + + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't174' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: + + 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:70: +Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:30: - 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & - | ^ -note: 't212' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4174:24: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't173' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: - 4174 | t878 = t210*t68 + 4966 | t171*t752 - t210*t171*t769 + | ^ +Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:24: + + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & | ^ -Warning: 't210' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:57: +note: 't171' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4956:42: - 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & - | ^ -note: 't210' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: + 4956 | t171*t706 - t210*t171*t723 + | ^ +Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:18: - 4171 | - t249*t210*t872 - | ^ -Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't170' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4906:27: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't906' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:46: + 4906 | t563 = t4*t169*t14 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:96: - 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & - | ^ -note: 't209' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:88: + 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & + | ^ +note: 't169' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4783:24: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't906' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4154:25: + 4783 | t321 = t99*t196 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:86: - 4154 | t813 = t287*t208 - | ^ -Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:40: + 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: - 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & - | ^ -note: 't208' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4426:65: + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:69: - 4426 | *t1739 + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t1712) - | ^ + 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4782:24: + + 4782 | t316 = t96*t183 + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:52: + + 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5142:58: + + 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) + | ^ Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3697:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:41: - 3697 | t917, t92, t920, t922, t93, t932, t933, t94, t95, t96, t964, t967, t968 - | ^ + 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 + | ^ note: 't95' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1190:39: - - 1190 | t1640 = 0.1e1_dp/t787/t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ + 5183 | *t421*t422*t1533 + | ^ Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3697:52: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4570:30: - 3697 | t917, t92, t920, t922, t93, t932, t933, t94, t95, t96, t964, t967, t968 - | ^ + 4570 | t932, t935, t939, t94, t943, t95, t956, t96, t961, t966, t97, t972, t985, t99, t990, t995 + | ^ note: 't94' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:76: - - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4097:115: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4886:115: - 4097 | *t511*t670) + 0.3e1_dp/0.2e1_dp*(t511)*(t673))*t185 + 4886 | *t400*t519) + 0.3e1_dp/0.2e1_dp*(t400)*(t522))*t145 | ^ Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3697:35: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:83: - 3697 | t917, t92, t920, t922, t93, t932, t933, t94, t95, t96, t964, t967, t968 - | ^ + 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & + | ^ note: 't93' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3982:29: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4791:22: - 3982 | t437 = t110*t92*t144 - | ^ + 4791 | t332 = t92**2 + | ^ Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3697:18: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:72: - 3697 | t917, t92, t920, t922, t93, t932, t933, t94, t95, t96, t964, t967, t968 - | ^ + 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & + | ^ note: 't92' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5073:101: - 4329 | *t199*t285 + t550*t285)) - | ^ + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - - 2080 | *t289*t294*t1553 - | ^ -Warning: 't897' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:91: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:61: - 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & - | ^ + 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & + | ^ note: 't91' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:72: - - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't897' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4268:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5030:29: - 4268 | t1240 = t180*t90*t149 - | ^ + 5030 | t995 = t140*t90*t108 + | ^ Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:80: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:56: - 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & - | ^ + 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & + | ^ note: 't90' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4143:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4932:32: - 4143 | t781 = 0.1e1_dp/t9/t743 + 4932 | t632 = 0.1e1_dp/t9/t594 | ^ Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:75: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:51: - 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & - | ^ + 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & + | ^ note: 't9' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4439:111: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5161:111: - 4439 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) + 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) | ^ Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't893' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:53: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:41: - 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & - | ^ + 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & + | ^ note: 't88' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3925:24: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4770:24: - 3925 | t332 = t218*t87 + 4770 | t293 = t179*t87 | ^ Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:60: - - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't893' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:18: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4569:18: - 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & + 4569 | t868, t87, t872, t878, t879, t88, t880, t9, t90, t91, t916, t92, t920, t93, t930, t931, & | ^ note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4439:111: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5161:111: - 4439 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) + 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) | ^ Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3695:92: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4568:62: - 3695 | t803, t804, t806, t81, t811, t813, t816, t82, t820, t83, t84, t843, t844, t849, t85, & - | ^ + 4568 | t807, t81, t811, t812, t819, t82, t83, t84, t848, t85, t852, t862, t863, t864, t865, & + | ^ note: 't85' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5116:35: - 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) - | ^ + 5116 | *t487 + t1205*t342 + | ^ Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't886' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3695:69: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4568:51: - 3695 | t803, t804, t806, t81, t811, t813, t816, t82, t820, t83, t84, t843, t844, t849, t85, & - | ^ + 4568 | t807, t81, t811, t812, t819, t82, t83, t84, t848, t85, t852, t862, t863, t864, t865, & + | ^ note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:48: - - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't886' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4090:21: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4879:21: - 4090 | omega + 4879 | omega | ^ Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3695:64: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4568:46: - 3695 | t803, t804, t806, t81, t811, t813, t816, t82, t820, t83, t84, t843, t844, t849, t85, & - | ^ + 4568 | t807, t81, t811, t812, t819, t82, t83, t84, t848, t85, t852, t862, t863, t864, t865, & + | ^ note: 't83' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4969:33: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ + 4969 | t782 = 0.1e1_dp/t332/t82 + | ^ Warning: 't82' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3695:53: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4568:41: - 3695 | t803, t804, t806, t81, t811, t813, t816, t82, t820, t83, t84, t843, t844, t849, t85, & - | ^ + 4568 | t807, t81, t811, t812, t819, t82, t83, t84, t848, t85, t852, t862, t863, t864, t865, & + | ^ note: 't82' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4048:69: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4853:69: - 4048 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t322*t206 - t80*t555)*sx + 4853 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t283*t167 - t80*t444)*sx | ^ Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't882' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3694:92: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4567:81: - 3694 | t752, t756, t759, t760, t762, t765, t767, t768, t769, t77, t772, t78, t781, t8, t80, & - | ^ + 4567 | t774, t78, t782, t783, t784, t789, t792, t793, t794, t795, t799, t8, t80, t803, t804, & + | ^ note: 't80' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:42: - - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't882' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4128:27: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4919:27: - 4128 | t746 = t24/t8/t743 + 4919 | t597 = t24/t8/t594 | ^ Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3694:87: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4567:76: - 3694 | t752, t756, t759, t760, t762, t765, t767, t768, t769, t77, t772, t78, t781, t8, t80, & - | ^ + 4567 | t774, t78, t782, t783, t784, t789, t792, t793, t794, t795, t799, t8, t80, t803, t804, & + | ^ note: 't8' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4186:22: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4968:22: - 4186 | t922 = t78**2 + 4968 | t774 = t78**2 | ^ Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3694:77: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4567:18: - 3694 | t752, t756, t759, t760, t762, t765, t767, t768, t769, t77, t772, t78, t781, t8, t80, & - | ^ + 4567 | t774, t78, t782, t783, t784, t789, t792, t793, t794, t795, t799, t8, t80, t803, t804, & + | ^ note: 't78' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4038:24: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4843:24: - 4038 | t546 = t75*t545 + 4843 | t435 = t75*t434 | ^ Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: - - 750 | *t615 - 0.20e1_dp*t102*t646 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:30: - - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3693:93: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4566:65: - 3693 | t713, t714, t717, t718, t72, t721, t724, t725, t727, t73, t74, t743, t746, t748, t75, & - | ^ + 4566 | REAL(KIND=dp) :: t72, t723, t726, t728, t73, t74, t744, t75, t751, t752, t769, t77, t772, & + | ^ note: 't75' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: - 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 + 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 | ^ Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3693:65: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4566:49: - 3693 | t713, t714, t717, t718, t72, t721, t724, t725, t727, t73, t74, t743, t746, t748, t75, & - | ^ + 4566 | REAL(KIND=dp) :: t72, t723, t726, t728, t73, t74, t744, t75, t751, t752, t769, t77, t772, & + | ^ note: 't73' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't878' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4188:64: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4985:64: - 4188 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t72*t258*t231 + 4985 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t72*t219*t192 | ^ Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:25: - - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't878' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3693:36: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4566:26: - 3693 | t713, t714, t717, t718, t72, t721, t724, t725, t727, t73, t74, t743, t746, t748, t75, & - | ^ + 4566 | REAL(KIND=dp) :: t72, t723, t726, t728, t73, t74, t744, t75, t751, t752, t769, t77, t772, & + | ^ note: 't72' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3919:53: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4764:53: - 3919 | t320 = 2._dp*t288*t70 + t11*t302 - t249*t318 + 4764 | t281 = 2._dp*t249*t70 + t11*t263 - t210*t279 | ^ Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3692:52: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4565:61: - 3692 | t690, t691, t695, t696, t698, t699, t7, t70, t704, t705, t706, t708, t709, t71, t712, & - | ^ + 4565 | t657, t662, t664, t667, t67, t68, t69, t694, t7, t70, t700, t706, t71 + | ^ note: 't70' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4940:67: - 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 + 4940 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 | ^ Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't874' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:96: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4565:46: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ + 4565 | t657, t662, t664, t667, t67, t68, t69, t694, t7, t70, t700, t706, t71 + | ^ note: 't69' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:13: - - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^ -note: 't874' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4439:111: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5161:111: - 4439 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) + 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) | ^ Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:73: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4565:41: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ + 4565 | t657, t662, t664, t667, t67, t68, t69, t694, t7, t70, t700, t706, t71 + | ^ note: 't68' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4139:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4928:33: - 4139 | t767 = 0.1e1_dp/t250/t67 + 4928 | t618 = 0.1e1_dp/t211/t67 | ^ Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:93: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:50: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4565:36: - 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & - | ^ + 4565 | t657, t662, t664, t667, t67, t68, t69, t694, t7, t70, t700, t706, t71 + | ^ note: 't67' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: - 4180 | a5*t21*t54*t65 - | ^ + 4963 | + 30._dp*a5*t21*t54*t65) + | ^ Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:71: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4564:87: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ + 4564 | t60, t603, t607, t61, t610, t613, t616, t618, t619, t620, t623, t63, t632, t65, t655, & + | ^ note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - - 1955 | *t58*t3796*t71 - | ^ -Warning: 't866' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4148 | t63) - | ^ + 4937 | /t12*t63)) + | ^ Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:82: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't866' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:42: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4564:76: - 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 - | ^ + 4564 | t60, t603, t607, t61, t610, t613, t616, t618, t619, t620, t623, t63, t632, t65, t655, & + | ^ note: 't63' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4148 | t63) - | ^ + 4937 | /t12*t63)) + | ^ Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4564:29: - 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & - | ^ + 4564 | t60, t603, t607, t61, t610, t613, t616, t618, t619, t620, t623, t63, t632, t65, t655, & + | ^ note: 't61' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4148 | t63) - | ^ + 4937 | /t12*t63)) + | ^ Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1815:56: - - 1815 | - 0.5000000001e0_dp*t60*t865*t709 - | ^ -Warning: 't865' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:77: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4562:47: - 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & - | ^ + 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & + | ^ note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:76: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't865' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: - 4180 | a5*t21*t54*t65 - | ^ + 4963 | + 30._dp*a5*t21*t54*t65) + | ^ Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:65: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4561:18: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^ note: 't49' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + 4937 | /t12*t63)) | ^ -Warning: 't864' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - - 4148 | t63) - | ^ Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:83: - 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & - | ^ + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ note: 't48' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:70: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't864' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4130:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4921:26: - 4130 | t752 = t46*t31*t6 + 4921 | t603 = t46*t31*t6 | ^ Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:62: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4560:18: - 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & - | ^ + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^ note: 't46' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4030:24: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4835:24: - 4030 | t533 = t193*t44 + 4835 | t422 = t154*t44 | ^ Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't863' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:48: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4559:50: - 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 - | ^ + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^ note: 't44' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:64: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't863' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4148 | t63) - | ^ + 4937 | /t12*t63)) + | ^ Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:71: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4558:18: - 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & - | ^ + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^ note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3881:22: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4726:22: - 3881 | t249 = t4*t18 + 4726 | t210 = t4*t18 | ^ Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:82: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:40: - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:52: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3887:24: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4732:24: - 3887 | t260 = t39*t259 + 4732 | t221 = t39*t220 | ^ Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:42: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4557:18: - 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & - | ^ + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^ note: 't39' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3915:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4760:26: - 3915 | t313 = a5*t38*t54 + 4760 | t274 = a5*t38*t54 | ^ Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:95: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:83: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & - | ^ + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^ note: 't38' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: - - 1976 | *t3382 - | ^ -Warning: 't859' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4148 | t63) - | ^ + 4937 | /t12*t63)) + | ^ Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:47: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't859' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:18: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4556:24: - 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & - | ^ + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^ note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3884:24: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4729:24: - 3884 | t252 = t35*t235 + 4729 | t213 = t35*t196 | ^ Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:89: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:77: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & - | ^ + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^ note: 't35' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4222:25: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4907:24: - 4222 | t1124 = t34*t767 - | ^ + 4907 | t564 = t34*t212 + | ^ Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:60: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4555:42: - 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & - | ^ + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^ note: 't34' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1788:56: - - 1788 | t3497 = 0.2400000000e2_dp*t473*t852*t1483 - | ^ -Warning: 't852' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:29: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't852' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: - 4180 | a5*t21*t54*t65 - | ^ + 4963 | + 30._dp*a5*t21*t54*t65) + | ^ Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:87: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:71: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ note: 't32' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3875:27: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4720:27: - 3875 | t242 = t27*t46*t31 + 4720 | t203 = t27*t46*t31 | ^ Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70: - - 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:58: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4554:48: - 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & - | ^ + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^ note: 't31' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:17: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4917:27: - 4135 | *t25*t756) - | ^ + 4917 | t588 = t10*t29*t14 + | ^ Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:67: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:65: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ note: 't29' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4148 | t63) - | ^ + 4937 | /t12*t63)) + | ^ Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4553:36: - 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & - | ^ + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^ note: 't28' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4131:28: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4922:28: - 4131 | t756 = t27*t266*t31 + 4922 | t607 = t27*t227*t31 | ^ Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:60: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4552:86: - 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 - | ^ + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^ note: 't27' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2670:54: - - 2670 | t6213 = 0.3333333336e0_dp*t55*t84*t5122 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4925:64: - 4135 | *t25*t756) - | ^ + 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) + | ^ Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:12: - - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:83: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4551:65: - 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & - | ^ + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^ note: 't25' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3872:24: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4717:24: - 3872 | t236 = t22*t235 + 4717 | t197 = t22*t196 | ^ Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:43: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:53: - 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & - | ^ + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ note: 't22' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4963:46: - 4180 | a5*t21*t54*t65 - | ^ + 4963 | + 30._dp*a5*t21*t54*t65) + | ^ Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:51: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4550:18: - 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & - | ^ + 4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, & + | ^ note: 't21' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:94: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5158:90: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't833' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4331:64: + 5158 | *t19 + 12._dp*g3*t1*t24*t32) + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4549:24: - 4331 | - t80*(t1189 + t1408)*Clda)*sx + 4549 | t188, t189, t19, t192, t193, t195, t196, t197, t198, t199, t2, t203, t206, t207, t208, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4726:22: + + 4726 | t210 = t4*t18 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:65: + + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4925:64: + + 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) | ^ -Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:13: +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4548:12: - 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & - | ^ -note: 't206' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5075:64: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3672:63: + 5075 | - t80*(t1074 + t1118)*Clda)*sx + | ^ +Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:83: - 3672 | t197, t1979, t198, t1981, t1989, t199, t1999, t2, t200, t2003, t2007, t2013, t202, t2050, & - | ^ -note: 't200' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2655:37: + 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & + | ^ +note: 't167' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 2655 | t6175 = t83*t597*t1688 - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:57: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3672:46: + 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & + | ^ +note: 't161' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: - 3672 | t197, t1979, t198, t1981, t1989, t199, t1999, t2, t200, t2003, t2007, t2013, t202, t2050, & - | ^ -note: 't199' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:88: + 5183 | *t421*t422*t1533 + | ^ +Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:51: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: + 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & + | ^ +note: 't160' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4709:24: - 4468 | - (4._dp*t568*t570) - | ^ -Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:95: + 4709 | t184 = t16*t183 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4547:45: - 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & - | ^ -note: 't195' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4027:29: + 4547 | t1566, t1570, t1576, t158, t159, t16, t160, t161, t1618, t163, t1652, t167, t1672, t169, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5202:132: - 4027 | t528 = t194*t44*t325 + 5202 | *t155*t44*t772) + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:90: + + 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & + | ^ +note: 't156' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4832:29: + + 4832 | t417 = t155*t44*t286 | ^ -Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:77: - 1784 | t165*t171*t3449 + 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4838:25: + + 4838 | t427 = t154*t219 + | ^ +Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:71: + + 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & + | ^ +note: 't154' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:38: + + 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & | ^ -Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:83: +note: 't151' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't827' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:82: + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4546:25: - 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & - | ^ -note: 't194' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4033:25: + 4546 | t1483, t149, t15, t1500, t151, t1529, t153, t1533, t1537, t154, t155, t1552, t156, t1562, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4851:86: - 4033 | t538 = t193*t258 + 4851 | + t439*t160) + | ^ +Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4545:88: + + 4545 | REAL(KIND=dp) :: t1405, t141, t1413, t1435, t1443, t1447, t1448, t145, t1452, t146, t1481, & + | ^ +note: 't146' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4886:115: + + 4886 | *t400*t519) + 0.3e1_dp/0.2e1_dp*(t400)*(t522))*t145 + | ^ +Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4545:75: + + 4545 | REAL(KIND=dp) :: t1405, t141, t1413, t1435, t1443, t1447, t1448, t145, t1452, t146, t1481, & + | ^ +note: 't145' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4997:25: + + 4997 | t863 = t125*t141 | ^ -Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:69: +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4545:34: - 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & - | ^ -note: 't193' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 4545 | REAL(KIND=dp) :: t1405, t141, t1413, t1435, t1443, t1447, t1448, t145, t1452, t146, t1481, & + | ^ +note: 't141' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4779:24: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:57: + 4779 | t309 = t14*t102 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4544:78: - 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & - | ^ -note: 't190' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: + 4544 | t1319, t1324, t133, t1336, t134, t1351, t136, t137, t1382, t1397, t14, t140 + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5129:26: - 1911 | *t400*t1333*t1410 - | ^ -Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:71: + 5129 | t1397 = t136*t137 + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4544:59: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't822' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4175:54: + 4544 | t1319, t1324, t133, t1336, t134, t1351, t136, t137, t1382, t1397, t14, t140 + | ^ +note: 't137' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5202:132: - 4175 | t892 = 2._dp*a1*t3*t19 + 12._dp*a2*t1*t24*t32 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:51: + 5202 | *t155*t44*t772) + | ^ +Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4544:40: - 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4046:86: + 4544 | t1319, t1324, t133, t1336, t134, t1351, t136, t137, t1382, t1397, t14, t140 + | ^ +note: 't134' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4851:86: - 4046 | + t550*t199) + 4851 | + t439*t160) | ^ -Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:19: +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4544:27: - 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & - | ^ -note: 't186' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: + 4544 | t1319, t1324, t133, t1336, t134, t1351, t136, t137, t1382, t1397, t14, t140 + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4966:42: - 1784 | t165*t171*t3449 - | ^ -Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4097:115: + 4966 | t171*t752 - t210*t171*t769 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:92: - 4097 | *t511*t670) + 0.3e1_dp/0.2e1_dp*(t511)*(t673))*t185 - | ^ -Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:65: + 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5189:80: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't815' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:13: + 5189 | *t367*t405*t1552) + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:80: - 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & - | ^ -note: 't185' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4296:26: + 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & + | ^ +note: 't129' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5002:39: - 4296 | t1331 = t166*t181 + 5002 | t878 = 0.1e1_dp/t128/t115/t114 + | ^ +Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:67: + + 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & + | ^ +note: 't128' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:47: + + 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5105:26: + + 5105 | t1264 = t125*t126 | ^ -Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3670:79: +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4543:20: - 3670 | REAL(KIND=dp) :: t1762, t1765, t177, t1781, t1796, t18, t180, t1804, t181, t1812, t1834, & - | ^ -note: 't181' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3881:22: + 4543 | t1255, t126, t1261, t1264, t1266, t127, t1270, t1277, t128, t1288, t129, t1299, t13, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4802:24: - 3881 | t249 = t4*t18 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3670:60: + 4802 | t355 = t93*t122 + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4542:73: - 3670 | REAL(KIND=dp) :: t1762, t1765, t177, t1781, t1796, t18, t180, t1804, t181, t1812, t1834, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 4542 | t1189, t1190, t1198, t12, t1205, t1208, t121, t1210, t1218, t122, t1224, t1231, t125, & + | ^ +note: 't122' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4982:34: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:59: + 4982 | t811 = 0.1e1_dp/t121/t114 + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4542:53: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't804' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4413:26: + 4542 | t1189, t1190, t1198, t12, t1205, t1208, t121, t1210, t1218, t122, t1224, t1231, t125, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4937:66: - 4413 | t1796 = t176*t177 - | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3670:41: + 4937 | /t12*t63)) + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4542:33: - 3670 | REAL(KIND=dp) :: t1762, t1765, t177, t1781, t1796, t18, t180, t1804, t181, t1812, t1834, & - | ^ -note: 't177' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4046:86: + 4542 | t1189, t1190, t1198, t12, t1205, t1208, t121, t1210, t1218, t122, t1224, t1231, t125, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5196:67: - 4046 | + t550*t199) - | ^ -Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3669:59: + 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:78: - 3669 | t17, t170, t1712, t1719, t1731, t1737, t1739, t174, t1747, t1753, t176 + 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4973:39: + + 4973 | t792 = 0.1e1_dp/t117/t789/t114 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:65: + + 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4797:34: + + 4797 | t345 = 0.1e1_dp/t117/t116 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:59: + + 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & | ^ -note: 't174' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: +note: 't116' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4871:25: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't801' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: + 4871 | t486 = t115*t281 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:39: - 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) - | ^ -Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3669:18: + 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4874:25: - 3669 | t17, t170, t1712, t1719, t1731, t1737, t1739, t174, t1747, t1753, t176 - | ^ -note: 't170' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:53: + 4874 | t500 = t114*t281 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:33: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't801' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: + 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5166:27: - 4135 | *t25*t756) - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3669:12: + 5166 | t1562 = t113*t1447 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4541:27: - 3669 | t17, t170, t1712, t1719, t1731, t1737, t1739, t174, t1747, t1753, t176 - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5089:26: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't800' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4271:40: + 5089 | t1208 = t110*t111 + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4540:91: - 4271 | t1250 = 0.1e1_dp/t169/t156/t155 - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3668:80: + 4540 | t106, t1065, t1066, t1071, t1074, t108, t1082, t1089, t109, t1098, t11, t110, t111, & + | ^ +note: 't111' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4744:19: - 3668 | t1645, t1652, t166, t167, t1675, t1678, t168, t1685, t1687, t1688, t169, t1692, t1695, & - | ^ -note: 't169' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: + 4744 | *t5 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4540:79: - 4436 | *t461*t320) - (2._dp*t91*t344*t875) - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3668:53: + 4540 | t106, t1065, t1066, t1071, t1074, t108, t1082, t1089, t109, t1098, t11, t110, t111, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5177:58: - 3668 | t1645, t1652, t166, t167, t1675, t1678, t168, t1685, t1687, t1688, t169, t1692, t1695, & - | ^ -note: 't168' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:47: + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4540:47: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + 4540 | t106, t1065, t1066, t1071, t1074, t108, t1082, t1089, t109, t1098, t11, t110, t111, & | ^ -note: 't800' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4400:26: +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4837:25: - 4400 | t1737 = t166*t167 - | ^ -Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3668:33: + 4837 | t426 = t106*t389 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4540:13: - 3668 | t1645, t1652, t166, t167, t1675, t1678, t168, t1685, t1687, t1688, t169, t1692, t1695, & - | ^ -note: 't167' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3997:24: + 4540 | t106, t1065, t1066, t1071, t1074, t108, t1082, t1089, t109, t1098, t11, t110, t111, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5026:30: - 3997 | t466 = t93*t163 + 5026 | t966 = t136*t105*t108 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4539:95: + + 4539 | t1001, t1011, t1017, t102, t1026, t103, t1033, t1035, t1040, t1047, t1048, t1049, t105, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5158:90: + + 5158 | *t19 + 12._dp*g3*t1*t24*t32) + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4539:47: + + 4539 | t1001, t1011, t1017, t102, t1026, t103, t1033, t1035, t1040, t1047, t1048, t1049, t105, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4781:25: + + 4781 | t313 = t179*t102 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4539:34: + + 4539 | t1001, t1011, t1017, t102, t1026, t103, t1033, t1035, t1040, t1047, t1048, t1049, t105, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5010:132: + + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:94: + + 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4711:24: + + 4711 | t188 = t10*t178 | ^ -Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:85: +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:88: - 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & - | ^ -note: 't163' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4293:35: + 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5158:90: - 4293 | t1315 = 0.1e1_dp/t162/t155 + 5158 | *t19 + 12._dp*g3*t1*t24*t32) + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4538:83: + + 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_utils.mod' due to: semi_empirical_int_utils.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod semi_empirical_int3_utils.mod kinds.mod input_constants.mod semi_empirical_int_arrays.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_hcth.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_nonbond_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod pair_potential_types.mod particle_types.mod cell_types.mod splines_types.mod atprop_types.mod ewald_environment_types.mod mathconstants.mod message_passing.mod pair_potential_coulomb.mod cp_log_handling.mod kinds.mod base_hooks.mod machine.mod splines_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F fist_nonbond_force.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_implicit_methods.mod' due to: ps_implicit_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod ps_implicit_types.mod dielectric_types.mod dirichlet_bc_types.mod pw_grid_types.mod pw_types.mod dirichlet_bc_methods.mod base_hooks.mod dct.mod message_passing.mod cp_log_handling.mod kahan_sum.mod mathconstants.mod bibliography.mod kinds.mod pw_methods.mod dielectric_methods.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_nonbond_force.F90 +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: + + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1293:35: + + 1293 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p | ^ -Warning: 't162' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:65: +note: 't97' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & - | ^ -note: 't162' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3864:24: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1293:30: - 3864 | t223 = t16*t222 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:52: + 1293 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1529:56: - 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73: + 1529 | t55 + t93 + t127)*sc + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1292:85: - 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:41: + 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4494:68: + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1292:80: - 4494 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) - | ^ -Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:33: + 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^ +note: 't92' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2218:35: - 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & - | ^ -note: 't159' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4261:41: + 2218 | t1901 = t90*t91*t793 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1292:40: - 4261 | t1213 = 0.1e1_dp/t158/t1210/t155 - | ^ -Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:20: + 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1790:29: - 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & - | ^ -note: 't158' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3992:34: + 1790 | t757 = t89*t91 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1291:92: - 3992 | t456 = 0.1e1_dp/t158/t157 - | ^ -Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:95: + 1291 | REAL(KIND=dp) :: t865, t866, t869, t870, t873, t874, t875, t878, t881, t884, t887, t89, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & - | ^ -note: 't157' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1290:59: - 1765 | t12*t1058 - | ^ -Warning: 't797' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4082:25: + 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: - 4082 | t637 = t156*t320 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:37: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't834' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1290:19: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^ +note: 't834' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: + + 2270 | t2048)*t2)*sc + | ^ +Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1290:13: + + 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^ +note: 't833' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't832' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:97: + + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't832' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + + 2120 | + t842 - t1609 | ^ -note: 't797' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:82: +Warning: 't831' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:91: - 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & - | ^ -note: 't156' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4085:25: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't831' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: - 4085 | t651 = t155*t320 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:76: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't830' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:85: - 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4470:27: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't830' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 4470 | t2060 = t154*t1886 - | ^ -Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:70: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't829' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:79: - 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & - | ^ -note: 't154' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't829' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: - 714 | t46*t541))*sx - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:95: + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't828' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:73: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4386:26: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't828' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 4386 | t1685 = t151*t152 - | ^ -Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:50: + 2120 | + t842 - t1609 + | ^ +Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:67: - 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & - | ^ -note: 't152' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3962:24: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't827' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: - 3962 | t401 = t15*t131 - | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:25: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't826' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:61: - 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't826' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) - | ^ -Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:20: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't825' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:55: - 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & - | ^ -note: 't149' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2108:42: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't825' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 2108 | t4721 = 0.1e1_dp/t787*t2480 - | ^ -Warning: 't787' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:90: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't824' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:49: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't787' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4032:25: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't824' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 4032 | t537 = t148*t500 - | ^ -Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3665:78: + 2120 | + t842 - t1609 + | ^ +Warning: 't823' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:43: - 3665 | t1401, t1402, t1408, t141, t142, t1437, t144, t1446, t145, t147, t148, t1480, t1482, & - | ^ -note: 't148' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4257:31: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't823' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: - 4257 | t1202 = t176*t147*t149 - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3665:72: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:37: - 3665 | t1401, t1402, t1408, t141, t142, t1437, t144, t1446, t145, t147, t148, t1480, t1482, & - | ^ -note: 't147' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't822' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kpp1_env_types.mod' due to: qs_kpp1_env_types.o /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_rho_set_types.mod xc_derivative_set_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3665:66: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't821' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:31: - 3665 | t1401, t1402, t1408, t141, t142, t1437, t144, t1446, t145, t147, t148, t1480, t1482, & - | ^ -note: 't145' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3981:25: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't821' was declared here +true +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: - 3981 | t435 = t141*t142 - | ^ -Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3665:34: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't820' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:25: - 3665 | t1401, t1402, t1408, t141, t142, t1437, t144, t1446, t145, t147, t148, t1480, t1482, & - | ^ -note: 't141' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3950:24: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't820' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 3950 | t381 = t208*t14 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3664:81: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't819' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:19: - 3664 | t1337, t1346, t1350, t136, t1363, t1372, t1382, t1386, t1388, t1393, t14, t140, t1400, & - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't819' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: + 2120 | + t842 - t1609 + | ^ +Warning: 't818' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1289:13: - 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't786' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3664:34: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^ +note: 't818' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: - 3664 | t1337, t1346, t1350, t136, t1363, t1372, t1382, t1386, t1388, t1393, t14, t140, t1400, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3977:43: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't817' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:94: - 3977 | + t416*t424/0.2e1_dp) - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:84: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't817' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't786' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3663:88: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't816' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:88: - 3663 | REAL(KIND=dp) :: t1300, t1304, t1308, t1309, t131, t1315, t1316, t132, t1326, t133, t1331, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: +note: 't816' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3663:75: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:82: - 3663 | REAL(KIND=dp) :: t1300, t1304, t1308, t1309, t131, t1315, t1316, t132, t1326, t133, t1331, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3962:24: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't815' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2196:32: - 3962 | t401 = t15*t131 - | ^ -Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3663:55: + 2196 | t1832 = t814*t254 + | ^ +Warning: 't814' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:76: - 3663 | REAL(KIND=dp) :: t1300, t1304, t1308, t1309, t131, t1315, t1316, t132, t1326, t133, t1331, & - | ^ -note: 't131' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't814' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 1765 | t12*t1058 - | ^ -Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:72: + 2120 | + t842 - t1609 + | ^ +Warning: 't813' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:70: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't782' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3977:43: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't813' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 3977 | + t416*t424/0.2e1_dp) - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3662:78: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't812' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:64: - 3662 | t1256, t126, t1260, t1264, t127, t1273, t128, t1288, t129, t1295, t13 - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't812' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2198:32: - 4363 | t419*t77*t871)/0.2e1_dp) - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3662:66: + 2198 | t1838 = t811*t202 + | ^ +Warning: 't811' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:58: - 3662 | t1256, t126, t1260, t1264, t127, t1273, t128, t1288, t129, t1295, t13 - | ^ -note: 't129' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't811' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2214:32: - 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) - | ^ -Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3662:53: + 2214 | t1891 = t808*t254 + | ^ +Warning: 't808' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:52: - 3662 | t1256, t126, t1260, t1264, t127, t1273, t128, t1288, t129, t1295, t13 - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't808' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2202:32: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3977:43: + 2202 | t1850 = t806*t254 + | ^ +Warning: 't806' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:46: - 3977 | + t416*t424/0.2e1_dp) - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:66: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't806' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2210:32: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't78' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3662:40: + 2210 | t1870 = t804*t254 + | ^ +Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:40: - 3662 | t1256, t126, t1260, t1264, t127, t1273, t128, t1288, t129, t1295, t13 + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3965:25: +note: 't804' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2215:32: - 3965 | t405 = t125*t404 - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3661:74: + 2215 | t1893 = t803*t305 + | ^ +Warning: 't803' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:34: - 3661 | t1216, t1220, t123, t1230, t1235, t124, t1240, t1241, t1242, t125, t1250, t1251, t1252, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1899:32: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't803' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2204:32: - 1899 | t3925 = t777*t561 + 2204 | t1858 = t802*t142 | ^ -Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4213:25: +Warning: 't802' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:28: - 4213 | t1068 = t96*t124 - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3661:47: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't802' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 3661 | t1216, t1220, t123, t1230, t1235, t124, t1240, t1241, t1242, t125, t1250, t1251, t1252, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:61: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:22: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't777' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4075:97: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1945:47: - 4075 | *t123*t136) + (2._dp*t368*t617))*t140 - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3661:27: + 1945 | t1099 = t8**(-0.1666666667e1_dp) + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:17: - 3661 | t1216, t1220, t123, t1230, t1235, t124, t1240, t1241, t1242, t125, t1250, t1251, t1252, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2246:34: - 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3660:65: + 2246 | *t136*t1986 + | ^ +Warning: 't799' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1288:13: - 3660 | t1189, t119, t1193, t12, t120, t1202, t1203, t1204, t121, t1210, t1213, t1214, t1215, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^ +note: 't799' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: - 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) - | ^ -Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3660:38: + 2194 | *t725*t371 + | ^ +Warning: 't796' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:97: - 3660 | t1189, t119, t1193, t12, t120, t1202, t1203, t1204, t121, t1210, t1213, t1214, t1215, & - | ^ -note: 't120' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't796' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: - 4148 | t63) - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3660:32: + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't793' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:91: - 3660 | t1189, t119, t1193, t12, t120, t1202, t1203, t1204, t121, t1210, t1213, t1214, t1215, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3953:29: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't793' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: - 3953 | t388 = t119*t218*t77 + 2228 | *t1094 | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1771:57: +Warning: 't789' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:85: - 1771 | *t102*t3363 - 0.20e1_dp*t102*t3379 - | ^ -Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3660:20: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't789' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 3660 | t1189, t119, t1193, t12, t120, t1202, t1203, t1204, t121, t1210, t1213, t1214, t1215, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4210:65: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't784' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:73: - 4210 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:49: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't784' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2137:89: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't773' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3659:94: + 2137 | t1142 - 0.40e1_dp*t1626*t92 + t1346 + t1654*t126 + 0.40e1_dp*t1657 + | ^ +Warning: 't783' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:67: - 3659 | t1143, t1147, t115, t1154, t1156, t116, t1162, t1169, t117, t1170, t1178, t1179, t118, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3942:25: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't783' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 3942 | t370 = t369*t117 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3659:67: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:61: - 3659 | t1143, t1147, t115, t1154, t1156, t116, t1162, t1169, t117, t1170, t1178, t1179, t118, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3944:25: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't782' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - 3944 | t374 = t116*t373 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3659:47: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't780' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:55: - 3659 | t1143, t1147, t115, t1154, t1156, t116, t1162, t1169, t117, t1170, t1178, t1179, t118, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4075:97: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't780' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2233:29: - 4075 | *t123*t136) + (2._dp*t368*t617))*t140 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3658:92: + 2233 | *t1776 + | ^ +Warning: 't779' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:49: - 3658 | t1080, t109, t1096, t11, t110, t1101, t1102, t111, t1114, t1115, t1121, t1124, t113, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3982:29: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't779' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2233:29: - 3982 | t437 = t110*t92*t144 + 2233 | *t1776 | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3658:38: +Warning: 't778' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:43: - 3658 | t1080, t109, t1096, t11, t110, t1101, t1102, t111, t1114, t1115, t1121, t1124, t113, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3899:19: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't778' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2233:29: - 3899 | *t5 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3658:32: + 2233 | *t1776 + | ^ +Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:37: - 3658 | t1080, t109, t1096, t11, t110, t1101, t1102, t111, t1114, t1115, t1121, t1124, t113, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't777' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - 4241 | *(t435)*(t437)*(t976) - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't774' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:31: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't772' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3657:94: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't774' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: - 3657 | t1005, t1015, t102, t1025, t1032, t104, t105, t1056, t1060, t1065, t1068, t1079, t108, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:43: + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:25: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't772' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3866:24: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't773' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: - 3866 | t227 = t10*t217 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3656:88: + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't772' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:19: - 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3943:26: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't772' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: - 3943 | t373 = t251*t1*t3 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3656:83: + 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + | ^ +Warning: 't771' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1287:13: - 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^ +note: 't771' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ Warning: 't769' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:91: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ note: 't769' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1771:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - 1771 | *t102*t3363 - 0.20e1_dp*t102*t3379 - | ^ + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't767' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:85: + + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't767' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2113:36: + + 2113 | t1603 = 0.2e1_dp*t766 + | ^ Warning: 't766' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:31: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:79: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ note: 't766' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ + 2270 | t2048)*t2)*sc + | ^ Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:19: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:73: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ note: 't764' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't754' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:13: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't762' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:61: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^ -note: 't754' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't762' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2117:38: - 2099 | t3869 + t4657 + t4696) - | ^ + 2117 | t1609 = 0.160e2_dp*t759 + | ^ +Warning: 't759' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:55: + + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't759' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: + + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't758' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:49: + + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't758' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2209:64: + + 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 + | ^ +Warning: 't757' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:43: + + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't757' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2159:52: + + 2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91 + | ^ +Warning: 't756' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:37: + + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't756' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2209:64: + + 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 + | ^ +Warning: 't755' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:31: + + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't755' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + + 2120 | + t842 - t1609 + | ^ Warning: 't753' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:95: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:25: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ note: 't753' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2113:55: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2233:29: - 2113 | t4732 = 0.6666666672e0_dp*t747*t84*t4729 - | ^ -Warning: 't747' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:89: + 2233 | *t1776 + | ^ +Warning: 't752' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:19: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't747' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't752' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: - 2020 | *t429*t1928*t290 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:83: + 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + | ^ +Warning: 't751' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1286:13: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^ +note: 't751' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: + + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't750' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:94: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't750' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:88: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: + + 2120 | + t842 - t1609 + | ^ +Warning: 't748' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:83: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1220:31: +note: 't748' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 1220 | t1694 = t45*t739 - | ^ -Warning: 't739' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:78: + 2120 | + t842 - t1609 + | ^ +Warning: 't746' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:77: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't739' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't746' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 2020 | *t429*t1928*t290 - | ^ + 2120 | + t842 - t1609 + | ^ +Warning: 't745' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:71: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't745' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2164:41: + + 2164 | t1754 = 0.2e1_dp*t744*t254 + | ^ +Warning: 't744' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:65: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't744' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: + + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't743' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:59: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't743' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't742' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:53: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't742' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2165:41: + + 2165 | t1764 = 0.2e1_dp*t741*t202 + | ^ +Warning: 't741' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:47: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't741' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2053:40: + + 2053 | t1469 = t74**(-0.40e1_dp) + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:41: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: + + 2228 | *t1094 + | ^ Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:72: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:36: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ note: 't735' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2608:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2124:42: - 2608 | t6053 = t732*t6052 - | ^ + 2124 | t1620 = 0.80e1_dp*t733*t254 + | ^ +Warning: 't733' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:30: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't733' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:24: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ note: 't732' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:46: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2139:42: - 2578 | - t5973 + t5975 - t5977 - | ^ + 2139 | t1666 = 0.80e1_dp*t730*t254 + | ^ +Warning: 't730' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:18: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't730' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1285:12: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^ +note: 't73' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2168:41: + + 2168 | t1775 = 0.2e1_dp*t729*t305 + | ^ Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:60: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:93: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ note: 't729' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2141:32: - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ + 2141 | t1671 = t728*t142 + | ^ Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:54: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:87: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ note: 't728' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2615:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: - 2615 | t6075 = t723*t6052 + 2194 | *t725*t371 | ^ -Warning: 't723' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:48: +Warning: 't725' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:81: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't723' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:54: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't725' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: - 2786 | + t5949 + t5952 + t5954 - t5958 - | ^ + 2194 | *t725*t371 + | ^ Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:42: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:75: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ note: 't722' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2586:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: - 2586 | t6006 = t719*t1838 + 2194 | *t725*t371 | ^ Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:36: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:69: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ note: 't719' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2294:90: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: - 2294 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 - | ^ + 2194 | *t725*t371 + | ^ Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:63: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ note: 't716' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1232:31: - - 1232 | t1715 = t713*t67 - | ^ -Warning: 't713' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:24: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't713' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:33: - 2811 | *t60*t2124*t709 - t6044 - | ^ -Warning: 't710' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:18: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't705' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2150:32: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't710' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2801:60: + 2150 | t1696 = t316*t704 + | ^ +Warning: 't704' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1284:27: - 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:12: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^ +note: 't704' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't697' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:66: - 2811 | *t60*t2124*t709 - t6044 - | ^ -Warning: 't709' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:93: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't697' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't709' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2294:90: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't696' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:60: - 2294 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 - | ^ -Warning: 't708' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:87: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't696' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't708' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2294:90: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't691' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:54: - 2294 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 - | ^ -Warning: 't707' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:81: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't691' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't707' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2540:37: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't688' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:48: - 2540 | t5898 = t705*t1504*t65 - | ^ -Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:75: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't688' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't705' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't687' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:42: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:69: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't687' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't70' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1174:29: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't683' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:36: - 1174 | t1616 = t7*t23 - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:64: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't683' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1680:30: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't682' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:30: - 1680 | t3097 = t66*t69 + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:60: +note: 't682' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't681' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:24: - 1932 | t1292*t1829 - | ^ -Warning: 't689' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:55: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't681' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't689' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2454:59: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1283:13: - 2454 | t5657 = 0.5000000000e0_dp*t405*t68*t5122*t17 - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:49: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^ +note: 't679' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2136:73: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't678' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:96: - 2136 | *t165*t166*t4729 + 0.3333333334e0_dp*t55*t57*t4782 - | ^ -Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:44: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't678' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't679' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't674' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:90: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't673' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:38: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't674' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't673' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't667' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:84: - 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) - | ^ -Warning: 't672' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:32: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't667' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^ -note: 't672' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2628:83: + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't666' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:78: - 2628 | + t6079) - t6087 - t6090 - | ^ -Warning: 't668' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:76: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't666' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1981:32: - 391 | t6603, t6611, t6620, t6621, t6630, t6640, t6658, t6665, t6669, t668 - | ^ -note: 't668' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1981 | t1238 = t874*t661 + | ^ +Warning: 't661' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:66: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:92: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't661' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1985:43: - 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38: + 1985 | t1252 = t865/t659/t282*t1250 + | ^ +Warning: 't659' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:60: - 2643 | t6141 = t658*t575*t1925 - | ^ + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't659' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:73: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:54: - 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & - | ^ + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ note: 't658' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1377:63: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 1377 | t1708 - 0.2222222224e0_dp*t144*t46*t2002 - | ^ -Warning: 't653' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:33: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't657' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:48: - 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & - | ^ -note: 't653' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1377:63: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't657' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1982:30: - 1377 | t1708 - 0.2222222224e0_dp*t144*t46*t2002 - | ^ -Warning: 't650' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:13: + 1982 | t1244 = t654**2 + | ^ +Warning: 't654' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:36: - 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & - | ^ -note: 't650' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2815:37: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't654' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1660:39: - 2815 | *t6075 - t6078 - | ^ + 1660 | t542 = 0.1e1_dp/t540/t65 + | ^ Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:93: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:24: - 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & - | ^ + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ note: 't65' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: - - 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) - | ^ -Warning: 't649' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:74: - - 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & - | ^ -note: 't649' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 2260 | *t105*t5118 - | ^ -Warning: 't646' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:54: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't648' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1282:19: - 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & - | ^ -note: 't646' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^ +note: 't648' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 1866 | *t339*t969 - | ^ -Warning: 't645' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:41: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't644' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:96: - 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & - | ^ -note: 't645' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't644' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 2726 | *t1054*t640*t3679 - | ^ -Warning: 't640' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:88: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't643' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:90: - 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & - | ^ -note: 't640' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't643' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't637' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:47: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't636' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:73: - 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & - | ^ -note: 't637' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't636' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:20: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:67: - 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & - | ^ + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ note: 't635' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't628' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:40: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't634' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:61: - 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & - | ^ -note: 't628' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't634' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't631' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:55: + + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't631' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't630' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:49: + + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't630' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:27: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:43: - 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & - | ^ + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ note: 't627' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2429:56: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1974:63: - 2429 | t5590 = 0.80e1_dp*t624*t22*t326*t136*t233 - | ^ -Warning: 't624' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:386:41: + 1974 | *t622*t874 - 0.9531842928e0_dp*t266*t887 + | ^ +Warning: 't622' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:37: - 386 | t6219, t6222, t6223, t6227, t624, t6247, t6249, t6252, t6253, t6256, t6257, t6260, t6263, & - | ^ -note: 't624' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2801:60: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't622' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1971:32: - 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 - | ^ -Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:385:61: + 1971 | t1168 = t619*t269 + | ^ +Warning: 't619' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:31: - 385 | REAL(KIND=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, & + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't619' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ -note: 't62' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: +Warning: 't618' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:25: - 2260 | *t105*t5118 - | ^ -Warning: 't615' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:383:96: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't618' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & - | ^ -note: 't615' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't617' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:19: - 1866 | *t339*t969 - | ^ -Warning: 't614' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:383:76: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't617' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & - | ^ -note: 't614' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't611' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1281:13: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^ +note: 't611' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't610' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:93: + + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't610' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + + 2052 | *t560*t1394 - t239*t1404 + | ^ Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:73: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:87: - 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & - | ^ + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ note: 't61' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - - 2260 | *t105*t5118 - | ^ -Warning: 't609' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:40: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1965:32: - 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & - | ^ -note: 't609' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1965 | t1151 = t607*t874 + | ^ +Warning: 't607' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:76: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't608' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:27: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't607' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & - | ^ -note: 't608' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't606' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:70: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ +note: 't606' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + + 2110 | t1599)*t2)*sc + | ^ Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:381:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:64: - 381 | t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & - | ^ + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ note: 't605' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2538:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2158:80: - 2538 | t5888 = t60*t1836*t709 - | ^ + 2158 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 + | ^ +Warning: 't604' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:58: + + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't604' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: + + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't603' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:52: + + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't603' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't602' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:46: + + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't602' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2137:89: + + 2137 | t1142 - 0.40e1_dp*t1626*t92 + t1346 + t1654*t126 + 0.40e1_dp*t1657 + | ^ +Warning: 't601' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:40: + + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't601' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't600' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:34: + + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't600' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:64: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:28: - 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & - | ^ + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ note: 't60' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1464:35: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: - 1464 | t2220 = beta*t785*t6 - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:59: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't599' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:19: - 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1131:49: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ +note: 't599' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2158:80: - 1131 | t1543 = 0.3333333336e0_dp*t55*t598 - | ^ + 2158 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 + | ^ Warning: 't598' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:27: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1280:13: - 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & - | ^ + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^ note: 't598' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2338:54: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: - 2338 | t5357 = 0.6666666672e0_dp*t55*t597*t649 - | ^ + 2236 | - t820 + t486 + t603 - t822 + | ^ Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:378:76: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:96: - 378 | REAL(KIND=dp) :: t5954, t5956, t5958, t5960, t5963, t5964, t5966, t597, t5971, t5973, t5975, & - | ^ + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ note: 't597' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) - | ^ + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't596' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:90: + + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't596' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: + + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't595' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:84: + + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't595' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't594' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:78: + + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't594' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + + 2110 | t1599)*t2)*sc + | ^ Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:377:20: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:72: - 377 | t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 - | ^ + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ note: 't593' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1379:77: - - 1379 | *t43*t1536 + t8*t2006)*sx - | ^ -Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: - 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & - | ^ -note: 't590' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:54: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't592' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:66: - 2786 | + t5949 + t5952 + t5954 - t5958 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:26: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't592' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2169:32: - 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2146:60: + 2169 | t1776 = t317*t591 + | ^ +Warning: 't591' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:60: - 2146 | t4812 = 0.1333333334e1_dp*t217*t46*t589*t1447 + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ -Warning: 't589' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:375:97: +note: 't591' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 375 | t5850, t5854, t5857, t5861, t5864, t5868, t5869, t5875, t5880, t5881, t5885, t5888, t589, & - | ^ -note: 't589' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't583' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:54: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't585' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:374:97: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't583' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 374 | t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & - | ^ -note: 't585' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2124:29: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't582' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:48: - 2124 | t4768 = t58**2 - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:53: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't582' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & - | ^ -note: 't58' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1272:32: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't577' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:42: - 1272 | t1785 = t579*t515 - | ^ -Warning: 't579' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:27: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't577' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & - | ^ -note: 't579' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:36: - 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 - | ^ -Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:372:34: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't574' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 372 | t5742, t5745, t5749, t575, t5752, t5756, t5760, t5767, t5770, t5773, t5776, t5780, t5783, & - | ^ -note: 't575' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1824:29: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:30: - 1824 | *t3576 - | ^ + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't573' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2092:39: + + 2092 | t1570 = t57*aa*t1567*t91 + | ^ Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:370:67: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:24: - 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 - | ^ + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ note: 't57' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 2710 | t5011 + t5001 - | ^ + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ Warning: 't569' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:370:27: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:19: - 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 - | ^ + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ note: 't569' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2136:73: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 2136 | *t165*t166*t4729 + 0.3333333334e0_dp*t55*t57*t4782 - | ^ + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't568' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1279:13: + + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^ +note: 't568' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:369:54: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:95: - 369 | t5657, t566, t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, & - | ^ + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ note: 't567' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) - | ^ -Warning: 't561' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:367:67: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't565' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:89: - 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & - | ^ -note: 't561' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't565' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 1932 | t1292*t1829 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:367:33: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't564' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:83: - 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & - | ^ -note: 't56' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't564' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: - 2260 | *t105*t5118 - | ^ -Warning: 't558' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:75: + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't560' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:77: - 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & - | ^ -note: 't558' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2722:79: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't560' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: - 2722 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 - | ^ -Warning: 't557' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:41: + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:71: - 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & - | ^ -note: 't557' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't56' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't553' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:66: + + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ -Warning: 't550' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:364:32: +note: 't553' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: - 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & - | ^ -note: 't550' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2313:55: + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't552' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:60: - 2313 | t5301 = 0.3333333336e0_dp*t55*t384*t4729 - | ^ + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't552' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1529:56: + + 1529 | t55 + t93 + t127)*sc + | ^ Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:364:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:54: - 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & - | ^ + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ note: 't55' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:930:31: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2060:32: - 930 | t1071 = t45*t541 + 2060 | t1510 = t874*t547 + | ^ +Warning: 't547' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:43: + + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't547' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2064:43: + + 2064 | t1524 = t865/t545/t230*t1522 + | ^ +Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:37: + + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't545' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't544' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:31: + + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ -Warning: 't541' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:360:90: +note: 't544' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 360 | t5373, t5376, t5379, t5383, t5386, t5389, t5397, t5400, t5402, t5406, t5409, t541, t5412, & - | ^ -note: 't541' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't543' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:25: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't543' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2061:30: + + 2061 | t1516 = t540**2 + | ^ +Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1278:13: + + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^ +note: 't540' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: + + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 | ^ -Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:359:83: +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:92: - 359 | t5342, t5343, t5345, t5347, t5351, t5354, t5357, t5360, t5363, t5367, t537, t5370, t5371, & - | ^ -note: 't537' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:76: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2554 | *t4898*t172 - 0.1000000000e1_dp*t5918 - t5922 + t5925 - | ^ + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:358:97: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:81: - 358 | t5311, t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, & - | ^ + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ note: 't534' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:46: - - 2578 | - t5973 + t5975 - t5977 - | ^ -Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:94: - - 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & - | ^ -note: 't531' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 1955 | *t58*t3796*t71 - | ^ + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:60: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:69: - 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & - | ^ + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ note: 't530' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 - | ^ -Warning: 't527' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:33: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:63: - 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 - | ^ -note: 't527' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:76: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't529' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2554 | *t4898*t172 - 0.1000000000e1_dp*t5918 - t5922 + t5925 - | ^ -Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:20: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't522' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:51: - 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 - | ^ -note: 't526' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't522' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2621 | *t6075 - t6078 - | ^ + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:45: + + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ +note: 't521' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:46: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:39: - 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & - | ^ + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ note: 't520' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:76: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2554 | *t4898*t172 - 0.1000000000e1_dp*t5918 - t5922 + t5925 - | ^ + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:33: - 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & - | ^ + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ note: 't517' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 1955 | *t58*t3796*t71 - | ^ + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:13: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1277:27: - 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & - | ^ + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^ note: 't516' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2547:56: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2547 | t5922 = 0.1111111112e0_dp*t4776*t515*t517 - | ^ -Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:95: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:70: - 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & - | ^ -note: 't515' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't513' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 - | ^ -Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:47: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:64: - 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & - | ^ -note: 't512' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:985:32: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2045:63: - 985 | t1213 = t511*t225 + 2045 | *t508*t874 - 0.9531842928e0_dp*t214*t887 + | ^ +Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:59: + + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't508' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2042:32: + + 2042 | t1391 = t505*t217 | ^ -Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:27: +Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:53: - 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & - | ^ -note: 't511' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2609:52: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't505' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2609 | t6056 = 0.5555555558e-1_dp*t508*t5271 - | ^ -Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:353:83: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:47: - 353 | t5040, t5043, t5044, t5047, t5050, t5051, t5060, t5065, t5069, t5079, t508, t5083, t5087, & - | ^ -note: 't508' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't504' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ Warning: 't503' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:352:76: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:41: - 352 | t5009, t5011, t5013, t5016, t5019, t5022, t5025, t5028, t5029, t503, t5032, t5035, t5036, & - | ^ + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ note: 't503' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:941:31: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1941:47: - 941 | t1106 = t500*t67 + 1941 | t1088 = t5**(-0.1666666667e1_dp) + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:35: + + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't497' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:31: + + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ -Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:65: +note: 't497' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & - | ^ -note: 't500' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:25: - 1784 | t165*t171*t3449 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:59: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't496' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2036:32: - 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1942:33: + 2036 | t1374 = t493*t874 + | ^ +Warning: 't493' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1276:13: - 1942 | t4101 = t498*t1505 - | ^ -Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:40: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^ +note: 't493' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: - 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & - | ^ -note: 't498' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:96: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:34: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't492' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & - | ^ -note: 't496' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65: + 2120 | + t842 - t1609 + | ^ +Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:90: - 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:348:74: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't491' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2526:56: + 2120 | + t842 - t1609 + | ^ +Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:84: - 2526 | t5854 = 0.1200000000e2_dp*t473*t489*t5371 - | ^ + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't490' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + + 2110 | t1599)*t2)*sc + | ^ Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:348:41: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:73: - 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & - | ^ + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ note: 't489' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1450:39: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 1450 | t2147 = lambda*t48*omega - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:346:19: + 2120 | + t842 - t1609 + | ^ +Warning: 't488' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:67: - 346 | t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, & - | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2514:56: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't488' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: - 2514 | t5825 = 0.1200000000e2_dp*t473*t479*t5009 - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:75: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:61: - 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & - | ^ -note: 't479' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't487' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2236:50: - 2175 | t4895 = t478*t1500*t4729 - | ^ -Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:48: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:55: - 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & - | ^ -note: 't478' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't486' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - 1976 | *t3382 - | ^ -Warning: 't474' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:344:55: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:49: - 344 | t4732, t4733, t4734, t4736, t4738, t4739, t474, t4743, t4744, t4748, t4760, t4764, t4768, & - | ^ -note: 't474' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2698:45: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't485' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2180:79: - 2698 | *t4901 - t4907 + t4911 - | ^ + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:43: + + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't484' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't483' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:37: + + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't483' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:31: + + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't482' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2093:32: + + 2093 | t1576 = t481*t254 + | ^ +Warning: 't481' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:25: + + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't481' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:19: + + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't480' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2166:32: + + 2166 | t1765 = t320*t479 + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1275:13: + + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^ +note: 't479' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: + + 1921 | *t45*t1020*t984*t1027 + | ^ Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:95: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:96: - 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & - | ^ + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ note: 't473' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2601:56: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2601 | t6036 = 0.2250000000e2_dp*t498*t472*t4905 - | ^ + 1921 | *t45*t1020*t984*t1027 + | ^ Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:90: - 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & - | ^ + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ note: 't472' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2635:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2635 | t6116 = 0.3600000000e2_dp*t1971*t471*t20*t5713 - | ^ -Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:34: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:84: - 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & - | ^ -note: 't471' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1018:40: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't467' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 1018 | t1300 = 0.1e1_dp/t41/t470 - | ^ -Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:45: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:78: - 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 - | ^ -note: 't470' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1381:36: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't464' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 1381 | t2013 = t566*t149*t47 - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:39: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:72: - 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2503:57: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't463' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2503 | t5792 = 0.2777777778e-1_dp*t429*t466*t5002 - | ^ -Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:27: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:66: - 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 - | ^ -note: 't466' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't459' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:97: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't458' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:60: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^ -note: 't462' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1449:85: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't458' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 1449 | *t43*t46*t2046 + t8*t2143)*sx - | ^ -Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:84: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:54: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't457' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2062 | *t3507 - t3512)*t149*t160 - | ^ + 1921 | *t45*t1020*t984*t1027 + | ^ Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:58: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:48: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^ + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ note: 't455' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2489:88: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2489 | - 0.1666666667e0_dp*t5724 + t5728 + t5731 - t5734 - t5738 + t5741 - | ^ -Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:38: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:42: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^ -note: 't451' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't454' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: - 1053 | *t237 - | ^ + 1897 | *t896 - t189*t914 + | ^ Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:25: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:36: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^ + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ note: 't450' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:84: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:30: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & - | ^ -note: 't446' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2644:38: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 2644 | t6144 = t445*t4512*t668 - | ^ -Warning: 't445' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:78: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't447' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:25: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & - | ^ -note: 't445' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1598:33: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't447' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 1598 | t2763 = t1367*t444 - | ^ + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:72: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:19: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & - | ^ + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ note: 't444' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2497:57: - - 2497 | t5773 = 0.1250000000e0_dp*t1368*t437*t5163 - | ^ -Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:40: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1889:31: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & - | ^ -note: 't437' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2628:83: + 1889 | t945 = t443*t873 + | ^ +Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1274:13: - 2628 | + t6079) - t6087 - t6090 - | ^ -Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:20: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^ +note: 't443' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & - | ^ -note: 't433' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 1897 | *t896 - t189*t914 + | ^ +Warning: 't440' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:96: - 2099 | t3869 + t4657 + t4696) + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:92: +note: 't440' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2642:38: + 1897 | *t896 - t189*t914 + | ^ +Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:90: - 2642 | t6138 = t429*t1928*t593 - | ^ -Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:80: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't439' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1906:32: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^ -note: 't429' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1749:30: + 1906 | t1013 = t874*t434 + | ^ +Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:78: - 1749 | t3305 = t4*t428 - | ^ -Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:74: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't434' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1910:43: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^ -note: 't428' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: + 1910 | t1027 = t865/t432/t178*t1025 + | ^ +Warning: 't432' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:72: - 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) - | ^ -Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:40: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't432' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^ -note: 't425' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't431' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:66: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:34: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't431' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^ -note: 't424' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:637:31: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:60: - 637 | t383 = t42*omega - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:97: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't430' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1907:30: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2456:56: + 1907 | t1019 = t427**2 + | ^ +Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:48: - 2456 | t5663 = 0.1500000000e1_dp*t400*t417*t5371 - | ^ + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't427' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:36: + + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't421' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + + 1938 | *bp*t1020*t984*t1027 + | ^ Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:92: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:19: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^ + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ note: 't417' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:72: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1273:13: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^ -note: 't413' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:791:38: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^ +note: 't416' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 791 | t747 = lambda*t41*omega - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:52: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:87: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2469:56: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't409' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2469 | t5695 = 0.7500000000e0_dp*t400*t406*t5009 - | ^ -Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:33: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:81: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^ -note: 't406' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't408' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 1524 | *t1368*t166*t2160 - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:27: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't407' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:75: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^ -note: 't405' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't407' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 1924 | t1320*t1483 - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:82: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:69: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^ -note: 't401' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2450:38: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't406' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2450 | t5643 = t400*t3975*t561 - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:76: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:63: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^ -note: 't400' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1649:41: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't403' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 1649 | t2992 = 0.1e1_dp/t1140/t40 - | ^ + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:57: + + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't402' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: + + 1897 | *t896 - t189*t914 + | ^ Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:70: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:51: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^ + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ note: 't40' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1070:30: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1546:35: - 1070 | t1409 = t4*t164 - | ^ + 1546 | t355 = t4**0.20e1_dp + | ^ Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:65: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:46: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^ + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ note: 't4' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 1328 | t1912 = t399*t245 - | ^ + 1938 | *bp*t1020*t984*t1027 + | ^ Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:42: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^ + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ note: 't399' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1036:33: - - 1036 | t1367 = omega*t398 - | ^ -Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:48: - - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^ -note: 't398' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1595:104: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1886:62: - 1595 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 - | ^ + 1886 | *t394*t874 - 0.9531842928e0_dp*t161*t887 + | ^ Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:94: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:36: - 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & - | ^ + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ note: 't394' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ + 2052 | *t560*t1394 - t239*t1404 + | ^ Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:74: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:30: - 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & - | ^ + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ note: 't393' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1898:39: - 1647 | - 0.5000000001e0_dp*t429*t437*t914 - | ^ -Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:61: + 1898 | t972 = t39**(-0.40e1_dp) + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1272:12: - 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & - | ^ -note: 't392' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 1063 | *t1397 - | ^ -Warning: 't387' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:27: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:95: - 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & - | ^ -note: 't387' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't389' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1882:49: - 2088 | *t83*t45*t3581*t140 - | ^ + 1882 | t903 = 0.1211413728e1_dp*t388*t873 + | ^ +Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:89: + + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't388' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1879:31: + + 1879 | t893 = t385*t164 + | ^ +Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:83: + + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't385' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + + 1938 | *bp*t1020*t984*t1027 + | ^ Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:77: - 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 - | ^ + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ note: 't384' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2328:51: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2328 | t5335 = 0.2222222224e0_dp*t383*t5281 - | ^ + 1938 | *bp*t1020*t984*t1027 + | ^ Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:27: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:71: - 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 - | ^ + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ note: 't383' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: - - 1063 | *t1397 - | ^ -Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:97: - - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^ -note: 't380' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2489:88: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2038:32: - 2489 | - 0.1666666667e0_dp*t5724 + t5728 + t5731 - t5734 - t5738 + t5741 - | ^ + 2038 | t1380 = t379*t217 + | ^ Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:77: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:60: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^ + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ note: 't379' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2439:54: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2439 | - t5602 + t5604 + t5607 + t5610 - | ^ + 1938 | *bp*t1020*t984*t1027 + | ^ Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:64: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:54: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^ + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ note: 't376' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ + 1938 | *bp*t1020*t984*t1027 + | ^ Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:51: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:48: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^ + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ note: 't375' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2034:32: - 1213 | *t1681 - | ^ + 2034 | t1371 = t372*t217 + | ^ Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:36: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^ + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ note: 't372' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ + 2194 | *t725*t371 + | ^ Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:25: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:30: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^ + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ note: 't371' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:719:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1865:40: - 719 | t561 = 0.40e1_dp*t24*t37 - 0.20e1_dp*t102*t558 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:19: + 1865 | t864 = 0.1e1_dp/t370/t130 + | ^ +Warning: 't370' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:24: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't370' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:92: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1271:18: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^ -note: 't368' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1872:31: - 863 | t942 = t367*t306 + 1872 | t875 = t367*t874 | ^ Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:58: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:87: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^ + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ note: 't367' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2393:38: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2035:38: - 2393 | t5496 = t366*t368*t1681 + 2035 | t1372 = t366*t212*t1371 | ^ Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:45: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:81: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^ + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ note: 't366' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2186:60: - 1551 | *t2565*t796 - | ^ + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:39: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:75: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^ + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ note: 't365' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2120:37: - 1213 | *t1681 - | ^ -Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:33: + 2120 | + t842 - t1609 + | ^ +Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:69: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^ -note: 't362' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2395:58: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't364' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2110:105: - 2395 | t5503 = 0.180e2_dp*t5106*t360*t371*my_ndrho - | ^ -Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:13: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:63: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^ -note: 't360' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't363' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2030:32: - 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:94: + 2030 | t1361 = t362*t202 + | ^ +Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:57: - 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't362' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2096:32: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ + 2096 | t1582 = t359*t254 + | ^ +Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:51: + + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't359' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2094:32: + + 2094 | t1578 = t357*t254 + | ^ Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:61: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:45: - 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & - | ^ + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ note: 't357' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:906:35: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2163:75: - 906 | t1002*my_rho - | ^ + 2163 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 + | ^ Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:41: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:39: - 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & - | ^ + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ note: 't356' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2151:32: - 1213 | *t1681 - | ^ + 2151 | t1697 = t315*t355 + | ^ +Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:33: + + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't355' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2031:32: + + 2031 | t1363 = t353*t254 + | ^ +Warning: 't353' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1270:27: + + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^ +note: 't353' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2223:58: + + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:73: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:72: - 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & - | ^ + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ note: 't352' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1960:32: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:25: + 1960 | t1137 = t351*t305 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:66: - 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & - | ^ -note: 't350' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1560:40: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't351' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1951:32: - 1560 | t2585 = 0.1e1_dp/t972/t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:19: + 1951 | t1110 = t350*t142 + | ^ +Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:60: - 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't350' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1949:28: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ + 1949 | t1096 + | ^ Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:72: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:54: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^ + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ note: 't347' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1949:28: - 1213 | *t1681 - | ^ + 1949 | t1096 + | ^ +Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:48: + + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't344' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2246:34: + + 2246 | *t136*t1986 + | ^ Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:52: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:42: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^ + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ note: 't343' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2029:83: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:46: + 2029 | *t750*t90*t91*t340 - 0.40e1_dp*t1125*t92 + 0.3600e2_dp*t1358 + | ^ +Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:36: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^ -note: 't342' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't340' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:40: + 2228 | *t1094 + | ^ +Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:25: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^ -note: 't341' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't338' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:34: + 2194 | *t725*t371 + | ^ +Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:19: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^ -note: 't339' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1189:49: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't337' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2163:75: - 1189 | t1638 = 0.1200000000e3_dp*t24*t336 - | ^ -Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:76: + 2163 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 + | ^ +Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1269:13: - 329 | REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & - | ^ -note: 't336' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1203:79: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^ +note: 't333' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2246:34: - 1203 | t1667 = 0.28e2_dp/0.3e1_dp*t332 - 0.28e2_dp/0.3e1_dp*t987*my_rho - | ^ + 2246 | *t136*t1986 + | ^ Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:80: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:96: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't332' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1748:63: - - 1748 | e_rho_rho_rho(ii) = e_rho_rho_rho(ii) + t3291*sx - | ^ -Warning: 't3291' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:53: - - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^ -note: 't3291' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1217:69: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: - 1217 | + t1628 - t1630 + t1634 - 0.20e1_dp*t102*t1685 - | ^ + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:46: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:90: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't329' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:33: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:84: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't328' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1882:32: - - 1882 | t3842 = t3278*t46 - | ^ -Warning: 't3278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:27: - - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^ -note: 't3278' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2264:80: - 1858 | *t321*t953*t1625 - | ^ + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:20: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:78: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't327' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1933:32: - - 1933 | t4025 = t3262*t57 - | ^ -Warning: 't3262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:85: - - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^ -note: 't3262' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2429:56: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: - 2429 | t5590 = 0.80e1_dp*t624*t22*t326*t136*t233 - | ^ + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:78: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:72: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't326' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't3248' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:72: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:66: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^ -note: 't3248' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't325' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't3244' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:65: + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't324' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:60: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^ -note: 't3244' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:64: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't324' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: - 2425 | - 0.80e1_dp*t5565 + t5568 + t5572 + t5574 - | ^ + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:54: + + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't323' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2122:32: + + 2122 | t1613 = t322*t591 + | ^ Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:51: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:48: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't322' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2383:57: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1856:88: - 2383 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 - | ^ + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:45: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:42: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't321' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1217:69: - - 1217 | + t1628 - t1630 + t1634 - 0.20e1_dp*t102*t1685 - | ^ -Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:32: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2166:32: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + 2166 | t1765 = t320*t479 | ^ -note: 't318' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: +Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:36: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't320' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2169:32: + + 2169 | t1776 = t317*t591 + | ^ Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:26: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:25: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't317' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2376:56: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2150:32: - 2376 | t5459 = 0.5333333333e1_dp*t321*t316*t5118 - | ^ + 2150 | t1696 = t316*t704 + | ^ Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:20: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:19: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^ + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ note: 't316' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2151:32: - 2382 | - t5462 + t5466 - t5468 - | ^ -Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:91: + 2151 | t1697 = t315*t355 + | ^ +Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1268:13: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^ -note: 't313' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^ +note: 't315' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2246:34: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:78: + 2246 | *t136*t1986 + | ^ +Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:94: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^ -note: 't311' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't312' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: - 1551 | *t2565*t796 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:72: + 2228 | *t1094 + | ^ +Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:88: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't309' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:82: + + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't306' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: + + 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 | ^ -Warning: 't3097' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:60: +Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:76: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^ -note: 't3097' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:891:40: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't305' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2144:54: - 891 | t1002 = 0.1e1_dp/t19/t309 - | ^ -Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:46: + 2144 | t1690 = 0.2400e2_dp*t771*t304*t133*t309 + | ^ +Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:70: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^ -note: 't309' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:901:31: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't304' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1398:31: - 901 | t1033 = t308*t12 + 1398 | t133 = t3 - t132 | ^ -Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:33: +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:64: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^ -note: 't308' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2436:56: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 2436 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 - | ^ -Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:20: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:60: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^ -note: 't307' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't298' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 863 | t942 = t367*t306 - | ^ -Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:92: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:54: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't306' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't297' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't3030' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:86: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:48: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't3030' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't295' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:72: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:42: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't302' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't294' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't2998' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:66: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:36: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't2998' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't293' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - 1966 | *t478*t183*t3918 + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:30: + + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't291' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1592:39: + + 1592 | t429 = 0.1e1_dp/t427/t29 | ^ -Warning: 't2994' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:59: +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:24: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't2994' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - 2779 | *t6271 - | ^ -Warning: 't2992' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:52: + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:19: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't2992' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1217:69: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't288' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: - 1217 | + t1628 - t1630 + t1634 - 0.20e1_dp*t102*t1685 - | ^ -Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:45: + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1267:13: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't299' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2414:49: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^ +note: 't287' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1980:32: - 2414 | t5551 = 0.1280e3_dp*t24*t298*t1599 - | ^ -Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:39: + 1980 | t1235 = t887*t283 + | ^ +Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:89: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't298' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't283' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1985:43: - 1063 | *t1397 - | ^ -Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:33: + 1985 | t1252 = t865/t659/t282*t1250 + | ^ +Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:83: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't295' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2669:56: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't282' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1984:30: - 2669 | t6210 = 0.1666666668e0_dp*t289*t294*t5174 - | ^ -Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:27: + 1984 | t1250 = t280**2 + | ^ +Warning: 't280' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:77: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't294' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't280' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't2937' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:21: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:66: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^ -note: 't2937' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2363:29: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't279' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: - 2363 | *t5421 - | ^ -Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:94: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:60: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^ -note: 't290' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2657:38: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't278' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1978:41: - 2657 | t6181 = t289*t1564*t593 + 1978 | t1218 = 0.1e1_dp/t654/t276 + | ^ +Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:48: + + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't276' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:42: + + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't273' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:36: + + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't272' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1754:62: + + 1754 | *t697*t662)*t122) + | ^ +Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:25: + + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't269' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1974:63: + + 1974 | *t622*t874 - 0.9531842928e0_dp*t266*t887 + | ^ +Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:19: + + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't266' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1266:13: + + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^ +note: 't265' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1964:38: + + 1964 | t1149 = t366*t264*t1148 | ^ -Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:88: +Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:97: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't264' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1969:30: + + 1969 | t1165 = t263**2 + | ^ +Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:91: + + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't263' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:85: + + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't260' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: + + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:79: + + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't259' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: + + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc | ^ -note: 't289' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2344:39: +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:73: - 2344 | t5373 = t2885*t446*t5371 - | ^ -Warning: 't2885' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:82: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't258' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2209:64: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^ -note: 't2885' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 + | ^ +Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:67: - 1924 | t1320*t1483 - | ^ -Warning: 't2873' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:68: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't257' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^ -note: 't2873' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1067:96: + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:61: - 1067 | t804 - 0.4444444448e0_dp*t43*t894 + t8*t1401)*sx - | ^ -Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:33: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't256' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^ -note: 't283' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:55: - 1911 | *t400*t1333*t1410 - | ^ -Warning: 't2823' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:27: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't255' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^ -note: 't2823' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: + 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + | ^ +Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:49: - 2710 | t5011 + t5001 - | ^ -Warning: 't2821' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:20: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't254' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2167:49: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^ -note: 't2821' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2166:60: + 2167 | t1768 = 0.2400e2_dp*t750*t253*t751 + | ^ +Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:43: - 2166 | t4869 = 0.6666666672e0_dp*t217*t46*t282*t4729 - | ^ -Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:13: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't253' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2159:52: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + 2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91 + | ^ +Warning: 't252' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:37: + + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't252' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:31: + + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't246' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:25: + + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't245' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't243' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:19: + + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^ +note: 't243' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: + + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1265:13: + + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ -note: 't282' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: +note: 't242' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 1911 | *t400*t1333*t1410 - | ^ -Warning: 't2808' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:87: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:95: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^ -note: 't2808' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't241' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:73: + 1897 | *t896 - t189*t914 + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:89: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^ -note: 't278' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2347:59: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't24' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: - 2347 | t5383 = 0.4166666667e-1_dp*t2763*t1247*t5002 - | ^ -Warning: 't2763' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:60: + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't239' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:84: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't239' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: + + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:78: + + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't236' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2059:32: + + 2059 | t1507 = t887*t231 + | ^ +Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:60: + + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ -note: 't2763' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: +note: 't231' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2064:43: - 2621 | *t6075 - t6078 - | ^ -Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:46: + 2064 | t1524 = t865/t545/t230*t1522 + | ^ +Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:54: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^ -note: 't275' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1809:33: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't230' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 1809 | t3569 = t274*t1505 - | ^ -Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:40: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:48: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^ -note: 't274' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2063:30: - 2035 | *t1246*t3244*t1483 + 2063 | t1522 = t228**2 + | ^ +Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:43: + + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't228' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:37: + + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't227' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: + + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:31: + + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't226' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2057:41: + + 2057 | t1490 = 0.1e1_dp/t540/t224 | ^ -Warning: 't2720' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:20: +Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:19: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^ -note: 't2720' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^ +note: 't224' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 - | ^ -Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:13: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1264:13: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ -note: 't271' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: +note: 't221' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't2707' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:92: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:94: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^ -note: 't2707' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2493:59: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't220' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1687:64: - 2493 | t5756 = 0.1111111111e0_dp*t170*t27*t5276*t17 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:85: + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:88: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't217' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2045:63: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:80: + 2045 | *t508*t874 - 0.9531842928e0_dp*t214*t887 + | ^ +Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:82: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^ -note: 't268' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:76: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't214' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 2554 | *t4898*t172 - 0.1000000000e1_dp*t5918 - t5922 + t5925 + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:76: + + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ -Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:74: +note: 't213' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2035:38: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^ -note: 't267' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2583:63: + 2035 | t1372 = t366*t212*t1371 + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:70: - 2583 | t6000 = 0.9000000007e1_dp*t5262*t266*t4701*t4940 - | ^ -Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:68: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't212' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2040:30: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^ -note: 't266' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: + 2040 | t1388 = t211**2 + | ^ +Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:64: - 2080 | *t289*t294*t1553 - | ^ -Warning: 't2636' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:42: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't211' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^ -note: 't2636' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:58: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't2631' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:28: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't208' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^ -note: 't2631' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1287:32: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:52: - 1287 | t1821 = t472*t262 - | ^ -Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:66: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't207' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^ -note: 't262' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2372:57: + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:46: - 2372 | t5449 = 0.1173333333e3_dp*t307*t2611*t5065 - | ^ -Warning: 't2611' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:60: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't206' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^ -note: 't2611' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2690:32: + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't205' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:40: - 2690 | t6267 = t26*t1447 + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't205' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2095:32: + + 2095 | t1580 = t204*t591 | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:47: +Warning: 't204' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1263:27: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1859:33: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^ +note: 't204' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1763:88: - 1859 | t3750 = t2585*t136 - | ^ -Warning: 't2585' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:42: + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1262:77: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^ -note: 't2585' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: + 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^ +note: 't203' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2173:64: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ -Warning: 't2565' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:21: + 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + | ^ +Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1262:64: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^ -note: 't2565' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1833:32: + 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^ +note: 't202' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2270:111: - 1833 | t3668 = t2552*t23 - | ^ -Warning: 't2552' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:14: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1262:25: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^ -note: 't2552' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^ +note: 't2' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't2537' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:93: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:72: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^ -note: 't2537' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't196' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2234 | + t5032 + t5035 - | ^ -Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:86: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:66: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^ -note: 't250' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2489:88: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't195' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2489 | - 0.1666666667e0_dp*t5724 + t5728 + t5731 - t5734 - t5738 + t5741 - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:80: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:39: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't193' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't2492' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:75: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:33: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^ -note: 't2492' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't192' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1921:44: - 1524 | *t1368*t166*t2160 - | ^ -Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:68: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1261:27: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^ -note: 't249' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^ +note: 't191' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't2480' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:62: + 1897 | *t896 - t189*t914 + | ^ +Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1260:61: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^ -note: 't2480' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1260 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & + | ^ +note: 't189' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2075:69: - 1858 | *t321*t953*t1625 + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1260:20: + + 1260 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & + | ^ +note: 't186' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1890:31: + + 1890 | t948 = t185*t371 + | ^ +Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1259:80: + + 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & + | ^ +note: 't185' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1897:39: + + 1897 | *t896 - t189*t914 | ^ -Warning: 't2468' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:55: +Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1259:74: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^ -note: 't2468' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2383:57: + 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & + | ^ +note: 't184' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2383 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 - | ^ -Warning: 't2455' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:48: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1258:94: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^ -note: 't2455' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32: + 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1905:32: - 1328 | t1912 = t399*t245 + 1905 | t1010 = t887*t179 | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:34: +Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1258:75: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + | ^ +note: 't179' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1910:43: + + 1910 | t1027 = t865/t432/t178*t1025 + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1258:34: + + 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & | ^ -note: 't245' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: +note: 't178' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1909:30: - 2080 | *t289*t294*t1553 - | ^ -Warning: 't2404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:86: + 1909 | t1025 = t176**2 + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1257:72: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^ -note: 't2404' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2414:49: + 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^ +note: 't176' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2414 | t5551 = 0.1280e3_dp*t24*t298*t1599 - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:79: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1257:52: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: + 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^ +note: 't175' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2795 | *t5228*t2117*t2028 - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:53: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1257:46: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^ -note: 't237' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2439:54: + 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^ +note: 't174' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1903:40: - 2439 | - t5602 + t5604 + t5607 + t5610 - | ^ -Warning: 't234' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:33: + 1903 | t993 = 0.1e1_dp/t427/t172 + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1257:20: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^ -note: 't234' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2439:54: + 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^ +note: 't172' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1922:48: - 2439 | - t5602 + t5604 + t5607 + t5610 + 1922 | t1043 = t17**(-0.2333333333e1_dp) + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1256:94: + + 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1256:54: + + 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & | ^ -Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:27: +note: 't169' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2091:73: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^ -note: 't233' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1084:53: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1256:48: - 1084 | + 0.8000000000e1_dp*t366*t1440 - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:53: + 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + | ^ +note: 't168' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & - | ^ -note: 't230' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2398:38: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1255:75: - 2398 | t5511 = t1680*t3673*t23 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:47: + 1255 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 + | ^ +note: 't167' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1622:54: - 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 1622 | t473*t435)*t51 + | ^ +Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1255:20: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:92: + 1255 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 + | ^ +note: 't164' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1886:62: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^ -note: 't225' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:888:40: + 1886 | *t394*t874 - 0.9531842928e0_dp*t161*t887 + | ^ +Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1254:48: - 888 | t995 = 0.1e1_dp/t787/t224 - | ^ -Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:86: + 1254 | t1603, t1604, t1605, t1606, t1609, t161, t1610, t1611, t1613, t1615, t1620, t1622, t1626, & + | ^ +note: 't161' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2052:47: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^ -note: 't224' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1253:87: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't2220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:59: + 1253 | t1570, t1576, t1578, t1580, t1582, t1588, t159, t1590, t1593, t1599, t16, t160, t1602, & + | ^ +note: 't160' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1883:49: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^ -note: 't2220' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1088:28: + 1883 | t905 = 0.1817120592e1_dp*t157*t371 + | ^ +Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:93: - 1088 | t1444 - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:52: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't157' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^ -note: 't221' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:80: - 1551 | *t2565*t796 - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:18: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't156' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1869:36: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^ -note: 't220' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1869 | t870 = t366*t155*t869 + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:74: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:12: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1877:29: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1193:32: + 1877 | t890 = t154**2 + | ^ +Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:68: - 1193 | t1645 = beta*t219 + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't154' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2039:32: + + 2039 | t1383 = t151*t513 | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:67: +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1252:20: - 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & - | ^ -note: 't219' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^ +note: 't151' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't2182' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:47: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:91: - 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & - | ^ -note: 't2182' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't150' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2029:83: - 1551 | *t2565*t796 - | ^ -Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:40: + 2029 | *t750*t90*t91*t340 - 0.40e1_dp*t1125*t92 + 0.3600e2_dp*t1358 + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:85: - 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & - | ^ -note: 't218' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2165:42: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1938:43: - 2165 | t4864 = t217*t46*t1535*t561 - | ^ -Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:34: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:66: - 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & - | ^ -note: 't217' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2102:56: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't149' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1816:90: - 2102 | t4704 = 0.3333333336e0_dp*t2147*t84*t4701 - | ^ -Warning: 't2147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:62: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:46: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^ -note: 't2147' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2137:55: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't148' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1940:32: - 2137 | t4789 = 0.4444444448e0_dp*t214*t46*t4786 - | ^ -Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:48: + 1940 | t1086 = t147*t479 + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:33: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^ -note: 't214' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2739:79: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't147' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2032:32: - 2739 | *t6181 - t6185 + t6189 - t6192 - 0.3333333336e0_dp*t6194 - | ^ -Warning: 't2139' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:42: + 2032 | t1365 = t144*t591 + | ^ +Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1251:13: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^ -note: 't2139' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^ +note: 't144' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2256:33: - 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 - | ^ -Warning: 't2131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:28: + 2256 | t2019 = t143*t1986 + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1250:94: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^ -note: 't2131' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_exchange_gga.mod' due to: xc_exchange_gga.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod xc_input_constants.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_array_utils.mod -true -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: + 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^ +note: 't143' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2204:32: - 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + 2204 | t1858 = t802*t142 + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1250:88: + + 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^ +note: 't142' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2098:32: + + 2098 | t1590 = t141*t704 + | ^ +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1250:82: + + 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & | ^ -Warning: 't2126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:14: +note: 't141' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1953:32: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^ -note: 't2126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + 1953 | t1113 = t140*t355 + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1250:69: - 2811 | *t60*t2124*t709 - t6044 - | ^ -Warning: 't2124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:91: + 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^ +note: 't140' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1949:28: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2124' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: + 1949 | t1096 + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1249:82: - 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + 1249 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & | ^ -Warning: 't2118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:84: +note: 't137' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2118' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: + 2194 | *t725*t371 + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1249:41: - 2795 | *t5228*t2117*t2028 + 1249 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & | ^ -Warning: 't2117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:77: +note: 't136' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2228:29: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2117' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: + 2228 | *t1094 + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:56: - 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 - | ^ -Warning: 't2114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:70: + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1719:31: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2114' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + 1719 | t636 = t635*t131 + | ^ +Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:44: - 2811 | *t60*t2124*t709 - t6044 - | ^ -Warning: 't2113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:63: + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't131' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1865:40: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2113' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2801:60: + 1865 | t864 = 0.1e1_dp/t370/t130 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:38: - 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 - | ^ -Warning: 't2104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:49: + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't130' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2021:35: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2104' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: + 2021 | t1346 = t13*af*t1344 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:32: - 2779 | *t6271 + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2194:33: + + 2194 | *t725*t371 + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1248:20: + + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^ +note: 't129' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1529:56: + + 1529 | t55 + t93 + t127)*sc + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1247:94: + + 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2253:29: + + 2253 | *t1979 | ^ -Warning: 't2099' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:42: +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1247:88: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2099' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2294:90: + 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2253:29: - 2294 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 + 2253 | *t1979 + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1247:68: + + 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1247:27: + + 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^ +note: 't122' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2247:32: + + 2247 | t1999 = t1998*t12 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1246:74: + + 1246 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2004:71: + + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1246:27: + + 1246 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1992:47: + + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1244:72: + + 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^ +note: 't111' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1993:41: + + 1993 | t1299 = t110**(-0.40e1_dp) + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1244:52: + + 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1547:30: + + 1547 | t356 = t11*t355 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1244:46: + + 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:2020:61: + + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1244:20: + + 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1727:40: + + 1727 | t656 = 0.1e1_dp/t654/t101 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1242:90: + + 1242 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & | ^ -Warning: 't2098' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:35: +note: 't101' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1398:31: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2098' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2698:45: + 1398 | t133 = t3 - t132 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F:1242:78: - 2698 | *t4901 - t4907 + t4911 - | ^ -Warning: 't2095' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:28: + 1242 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_mm.mod' due to: input_cp2k_mm.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod force_field_kind_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_field.mod string_utilities.mod cp_units.mod input_cp2k_poisson.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_libxc.mod' due to: xc_libxc.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod input_keyword_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_libxc_wrap.mod kinds.mod bibliography.mod xc_derivative_desc.mod +true +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5671:94: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2095' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) + | ^ +Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3656:76: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & | ^ -Warning: 't2088' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:21: +note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5671:94: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^ -note: 't2088' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) + | ^ +Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3656:69: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't2082' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:97: + 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & + | ^ +note: 'dqndrho' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4437:97: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + 4437 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t322*t696 - t80*(t1652 + t1860)*Clda)*sx | ^ -note: 't2082' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2769:38: +Warning: 't696' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3692:31: - 2769 | - t6090 + t6094 - | ^ -Warning: 't2081' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:90: + 3692 | t690, t691, t695, t696, t698, t699, t7, t70, t704, t705, t706, t708, t709, t71, t712, & + | ^ +note: 't696' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2081' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't691' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3692:19: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't2077' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:83: + 3692 | t690, t691, t695, t696, t698, t699, t7, t70, t704, t705, t706, t708, t709, t71, t712, & + | ^ +note: 't691' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2077' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't690' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3692:13: - 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 - | ^ -Warning: 't2074' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:76: + 3692 | t690, t691, t695, t696, t698, t699, t7, t70, t704, t705, t706, t708, t709, t71, t712, & + | ^ +note: 't690' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2074' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 4383 | *t320 + | ^ +Warning: 't684' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:85: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:62: + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't684' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + 4468 | - (4._dp*t568*t570) + | ^ +Warning: 't681' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:79: + + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't681' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: + + 4383 | *t320 + | ^ +Warning: 't677' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:68: + + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't677' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: + + 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) + | ^ +Warning: 't673' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:62: + + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & | ^ -note: 't207' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: +note: 't673' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: - 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 - | ^ -Warning: 't2061' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:56: + 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) + | ^ +Warning: 't670' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:56: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & | ^ -note: 't2061' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2732:78: +note: 't670' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: - 2732 | - t5595 + t5597 - t5600 - t5602 + t5604 + t5607 + t5610 - | ^ -Warning: 't2058' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:49: + 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) + | ^ +Warning: 't664' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:45: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2058' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2722:79: + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't664' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: - 2722 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 - | ^ -Warning: 't2057' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:42: + 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) + | ^ +Warning: 't661' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:39: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2057' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't661' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 2726 | *t1054*t640*t3679 - | ^ -Warning: 't2054' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:35: + 4383 | *t320 + | ^ +Warning: 't656' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:33: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2054' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't656' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: - 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) - | ^ -Warning: 't2050' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:28: + 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) + | ^ +Warning: 't652' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:27: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2050' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73: + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't652' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4384:27: - 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) - | ^ -Warning: 't2046' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:21: + 4384 | t1675 = t1241*t651 + | ^ +Warning: 't651' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:77: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2046' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't651' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: - 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 - | ^ -Warning: 't2042' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:14: + 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) + | ^ +Warning: 't649' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:66: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^ -note: 't2042' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't649' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't2035' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:97: + 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) + | ^ +Warning: 't638' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:60: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2035' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't638' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4390:27: - 2811 | *t60*t2124*t709 - t6044 - | ^ -Warning: 't2032' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:90: + 4390 | t1695 = t1203*t637 + | ^ +Warning: 't637' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:54: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2032' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't637' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: - 2744 | *t27*t6291*t172 - t5397 - | ^ -Warning: 't2031' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:83: + 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) + | ^ +Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:48: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2031' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't635' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:76: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't629' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:37: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't203' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't629' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 2795 | *t5228*t2117*t2028 - | ^ -Warning: 't2028' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:70: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:25: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2028' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't627' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4412:26: - 2779 | *t6271 - | ^ -Warning: 't2027' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:63: + 4412 | t1781 = t176*t626 + | ^ +Warning: 't626' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:19: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2027' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't626' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2234 | + t5032 + t5035 - | ^ -Warning: 't2022' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:56: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't623' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:13: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2022' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't623' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4364:26: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't2018' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:49: + 4364 | t1583 = t621*t142 + | ^ +Warning: 't621' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:93: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2018' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't621' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't2014' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:42: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't617' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:87: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2014' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't617' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't2013' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:35: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't616' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:81: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2013' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't616' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't2009' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:28: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't612' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:75: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2009' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1896:32: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't612' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 1896 | t3875 = t45*t2002 - | ^ -Warning: 't2002' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:14: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't611' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:69: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^ -note: 't2002' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:46: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't611' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2578 | - t5973 + t5975 - t5977 - | ^ -Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:80: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't610' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:63: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^ -note: 't200' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2635:61: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't610' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2635 | t6116 = 0.3600000000e2_dp*t1971*t471*t20*t5713 - | ^ -Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:74: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't608' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:52: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^ -note: 't20' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't608' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4348:47: - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ -Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:48: + 4348 | + t1079*t210*t1080*t316) + | ^ +Warning: 't607' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:46: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^ -note: 't199' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't607' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't1988' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:42: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't604' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:40: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^ -note: 't1988' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't604' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't1981' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:21: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't599' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:19: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^ -note: 't1981' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't599' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1975' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:90: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't596' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:13: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^ -note: 't1975' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2757:70: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't596' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2757 | + t5619 + t5622 - t5625 - t5628 + t5631 + t5716 - | ^ -Warning: 't1974' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:83: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't595' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:95: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't595' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: + + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:89: + + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't593' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: + + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't592' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:83: + + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & | ^ -note: 't1974' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: +note: 't592' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't1973' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:76: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:77: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^ -note: 't1973' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63: + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't590' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 - | ^ -Warning: 't1972' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:69: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't589' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:71: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^ -note: 't1972' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63: + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't589' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 - | ^ -Warning: 't1971' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:62: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:65: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^ -note: 't1971' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2622:57: + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't586' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2622 | t6087 = 0.1666666667e0_dp*t429*t1966*t1410 + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ -Warning: 't1966' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:48: +Warning: 't584' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:59: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't584' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: + + 4468 | - (4._dp*t568*t570) + | ^ +Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:48: + + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & | ^ -note: 't1966' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58: +note: 't570' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: - 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865 - | ^ -Warning: 't1962' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:34: + 4468 | - (4._dp*t568*t570) + | ^ +Warning: 't568' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:42: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^ -note: 't1962' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:46: + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't568' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2578 | - t5973 + t5975 - t5977 - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:20: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:36: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^ -note: 't196' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:578:30: + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't567' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4439:111: - 578 | t271 = t195*t17 + 4439 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) + | ^ +Warning: 't565' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:30: + + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & | ^ -Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:82: +note: 't565' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^ -note: 't195' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: + 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) + | ^ +Warning: 't564' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:24: - 2043 | + (2*t147*t1284*t672) - | ^ -Warning: 't1940' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:62: + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't564' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^ -note: 't1940' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) + | ^ +Warning: 't561' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3688:18: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + 3688 | t56, t561, t564, t565, t567, t568, t570, t58, t584, t586, t589, t590, t592, t593, t595, & + | ^ +note: 't561' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4331:64: + + 4331 | - t80*(t1189 + t1408)*Clda)*sx | ^ -Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:55: +Warning: 't555' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:95: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^ -note: 't194' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't555' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't1932' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:35: + 4383 | *t320 + | ^ +Warning: 't550' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:83: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^ -note: 't1932' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't550' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 2020 | *t429*t1928*t290 - | ^ -Warning: 't1928' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:28: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't549' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:72: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^ -note: 't1928' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't549' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4319:27: - 2643 | t6141 = t658*t575*t1925 - | ^ -Warning: 't1925' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:62: + 4319 | t1402 = t548*t1401 + | ^ +Warning: 't548' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:66: - 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 - | ^ -note: 't1925' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't548' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't1924' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:55: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't546' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:60: - 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 - | ^ -note: 't1924' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2557:38: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't546' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 2557 | t5938 = t192*t728*t1505 - | ^ -Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:34: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:54: - 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 - | ^ -note: 't192' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't545' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4316:30: - 1924 | t1320*t1483 - | ^ -Warning: 't1912' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:14: + 4316 | t1393 = t75/t544/t199 + | ^ +Warning: 't544' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:48: - 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 - | ^ -note: 't1912' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't544' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4255:21: - 1924 | t1320*t1483 - | ^ -Warning: 't1902' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:81: + 4255 | *t58 + | ^ +Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:31: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^ -note: 't1902' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't539' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:67: + 4436 | *t461*t320) - (2._dp*t91*t344*t875) + | ^ +Warning: 't538' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:25: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2457:58: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't538' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: - 2457 | t5666 = 0.1125000000e2_dp*t1302*t1892*t1410 - | ^ -Warning: 't1892' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:48: + 4329 | *t199*t285 + t550*t285)) + | ^ +Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:19: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^ -note: 't1892' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:682:30: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't537' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 682 | t503 = t189*t67 - | ^ -Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:34: + 4383 | *t320 + | ^ +Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:13: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^ -note: 't189' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't534' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 2043 | + (2*t147*t1284*t672) - | ^ -Warning: 't1886' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:28: + 4383 | *t320 + | ^ +Warning: 't533' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:97: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^ -note: 't1886' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't533' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: - 2710 | t5011 + t5001 + 4468 | - (4._dp*t568*t570) | ^ -Warning: 't1885' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:21: +Warning: 't532' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:91: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^ -note: 't1885' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't532' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: - 2358 | t5421 = t657*t1884*t59*t1975 - | ^ -Warning: 't1884' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:14: + 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) + | ^ +Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:85: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^ -note: 't1884' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't531' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1875' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:83: + 4383 | *t320 + | ^ +Warning: 't528' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:79: - 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & - | ^ -note: 't1875' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2782:78: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't528' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: - 2782 | + 0.3333333334e0_dp*t6283*t187*t177*t65 + t5925 - t5929 - | ^ -Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:62: + 4329 | *t199*t285 + t550*t285)) + | ^ +Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:73: - 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & - | ^ -note: 't187' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't526' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) - | ^ -Warning: 't1865' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:49: + 4383 | *t320 + | ^ +Warning: 't523' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:67: - 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't523' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: + + 4329 | *t199*t285 + t550*t285)) + | ^ +Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:61: + + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't521' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4426:65: + + 4426 | *t1739 + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t1712) + | ^ +Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:55: + + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't517' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4494:68: + + 4494 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) + | ^ +Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:49: + + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & | ^ -note: 't1865' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2036:32: +note: 't516' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4426:65: - 2036 | t4498 = t56*t1843 - | ^ -Warning: 't1843' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:90: + 4426 | *t1739 + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t1712) + | ^ +Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:43: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^ -note: 't1843' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't513' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4302:78: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1838' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:76: + 4302 | t478*t512*t969) + | ^ +Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:37: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^ -note: 't1838' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't512' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4285:38: - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + 4285 | (t511)*(t516)*(t1260) + | ^ +Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:31: + + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't511' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4419:70: + + 4419 | t1796*t1762 + 0.5e1_dp/0.2e1_dp*(t499)*(t504)*(t1632) | ^ -Warning: 't1837' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:69: +Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:25: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^ -note: 't1837' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2538:37: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't505' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4488:25: - 2538 | t5888 = t60*t1836*t709 - | ^ -Warning: 't1836' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:62: + 4488 | *(t1886) + | ^ +Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:19: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^ -note: 't1836' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2275:58: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't504' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4419:70: - 2275 | - 0.1800000000e2_dp*t478*t183*t5143 - | ^ -Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:41: + 4419 | t1796*t1762 + 0.5e1_dp/0.2e1_dp*(t499)*(t504)*(t1632) + | ^ +Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3686:13: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^ -note: 't183' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 3686 | t501, t504, t505, t511, t512, t513, t516, t517, t521, t523, t526, t528, t531, t532, t533, & + | ^ +note: 't501' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4312:31: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't1829' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:35: + 4312 | *(t457)*(t933) + | ^ +Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:93: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^ -note: 't1829' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2363:29: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't500' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4285:38: - 2363 | *t5421 - | ^ -Warning: 't1825' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:21: + 4285 | (t511)*(t516)*(t1260) + | ^ +Warning: 't499' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:83: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^ -note: 't1825' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't499' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: - 1976 | *t3382 - | ^ -Warning: 't1821' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:88: + 4329 | *t199*t285 + t550*t285)) + | ^ +Warning: 't493' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:77: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^ -note: 't1821' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't493' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ -Warning: 't182' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:81: + 4329 | *t199*t285 + t550*t285)) + | ^ +Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:71: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^ -note: 't182' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't490' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't1811' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:61: + 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) + | ^ +Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:60: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^ -note: 't1811' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2509:58: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't486' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4270:27: - 2509 | t5810 = 0.1080000000e3_dp*t1143*t1801*t1410 + 4270 | t1242 = t1241*t485 + | ^ +Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:54: + + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't485' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: + + 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) + | ^ +Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:48: + + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't484' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: + + 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) | ^ -Warning: 't1801' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:33: +Warning: 't483' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:42: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^ -note: 't1801' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't483' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: - 2710 | t5011 + t5001 + 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) + | ^ +Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:36: + + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:19: +note: 't480' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4494:68: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + 4494 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:25: + + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't479' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: + + 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) + | ^ +Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:19: + + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2561:52: +note: 't478' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4302:78: - 2561 | t5949 = 0.8999999998e1_dp*t1795*t4909 - | ^ -Warning: 't1795' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:97: + 4302 | t478*t512*t969) + | ^ +Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:13: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^ -note: 't1795' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't471' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1790' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:83: + 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) + | ^ +Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:92: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^ -note: 't1790' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2569:34: + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't470' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4302:78: - 2569 | t5966 = t1785*t1790 - | ^ -Warning: 't1785' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:62: + 4302 | t478*t512*t969) + | ^ +Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:86: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^ -note: 't1785' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't466' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: - 2621 | *t6075 - t6078 - | ^ -Warning: 't1782' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:48: + 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) + | ^ +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:80: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^ -note: 't1782' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2541:56: + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't463' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4259:27: - 2541 | t5902 = 0.1800000000e2_dp*t1718*t178*t710 - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:41: + 4259 | t1204 = t1203*t462 + | ^ +Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:74: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^ -note: 't178' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2587:52: + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't462' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4302:78: - 2587 | t6009 = 0.5000000001e0_dp*t1777*t4908 - | ^ -Warning: 't1777' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:28: + 4302 | t478*t512*t969) + | ^ +Warning: 't461' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:68: + + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't461' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4411:124: + + 4411 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) + | ^ +Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:57: + + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't457' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4404:32: + + 4404 | t1762 = t456*t168*t1687 + | ^ +Warning: 't456' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:51: + + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't456' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: + + 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) + | ^ +Warning: 't453' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:45: + + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't453' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4312:31: + + 4312 | *(t457)*(t933) + | ^ +Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:39: + + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't452' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4488:25: + + 4488 | *(t1886) + | ^ +Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:33: + + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't451' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: + + 4436 | *t461*t320) - (2._dp*t91*t344*t875) + | ^ +Warning: 't445' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:27: + + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't445' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4255:21: + + 4255 | *t58 + | ^ +Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:72: + + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 + | ^ +note: 't444' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^ -note: 't1777' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2579:52: + 4383 | *t320 + | ^ +Warning: 't442' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:60: - 2579 | t5985 = 0.5000000001e0_dp*t1774*t4908 - | ^ -Warning: 't1774' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:14: + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 + | ^ +note: 't442' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4304:26: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^ -note: 't1774' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:54: + 4304 | t1350 = t151*t441 + | ^ +Warning: 't441' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:54: - 2786 | + t5949 + t5952 + t5954 - t5958 + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:89: - - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^ -note: 't177' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: +note: 't441' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4367:49: - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't1769' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:83: + 4367 | 0.7e1_dp/0.2e1_dp*t435*t437*t875 + | ^ +Warning: 't438' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:43: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^ -note: 't1769' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:54: + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 + | ^ +note: 't438' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4367:49: - 2786 | + t5949 + t5952 + t5954 - t5958 - | ^ -Warning: 't1766' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:69: + 4367 | 0.7e1_dp/0.2e1_dp*t435*t437*t875 + | ^ +Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:37: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^ -note: 't1766' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2604:52: + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 + | ^ +note: 't437' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4367:49: - 2604 | t6044 = 0.2000000002e1_dp*t1763*t5956 - | ^ -Warning: 't1763' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:55: + 4367 | 0.7e1_dp/0.2e1_dp*t435*t437*t875 + | ^ +Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:31: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^ -note: 't1763' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:951:30: + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 + | ^ +note: 't435' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4223:26: - 951 | t1140 = t176**2 - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:34: + 4223 | t1143 = t433*t142 + | ^ +Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:25: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^ -note: 't176' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 + | ^ +note: 't433' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't1755' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:70: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:19: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^ -note: 't1755' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 + | ^ +note: 't429' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 - | ^ -Warning: 't1748' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:49: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:13: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^ -note: 't1748' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 + | ^ +note: 't428' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1745' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:42: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:95: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^ -note: 't1745' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2563:52: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't424' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2563 | t5954 = 0.8999999998e1_dp*t1741*t4909 - | ^ -Warning: 't1741' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:28: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:89: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^ -note: 't1741' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2555:57: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't423' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2555 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905 - | ^ -Warning: 't1740' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:21: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't422' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:83: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^ -note: 't1740' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't422' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1737' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:14: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't420' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:77: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^ -note: 't1737' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2004:32: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't420' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - 2004 | t4352 = t1731*t67 + 4171 | - t249*t210*t872 | ^ -Warning: 't1731' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:90: +Warning: 't419' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:66: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^ -note: 't1731' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't419' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 - | ^ -Warning: 't1726' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:69: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:60: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^ -note: 't1726' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't418' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2621 | *t6075 - t6078 - | ^ -Warning: 't1722' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:55: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:54: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^ -note: 't1722' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't417' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2621 | *t6075 - t6078 - | ^ -Warning: 't1720' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:48: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:48: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & | ^ -note: 't1720' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: - - 2744 | *t27*t6291*t172 - t5397 - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:41: +note: 't416' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^ -note: 't172' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:37: - 1955 | *t58*t3796*t71 + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & | ^ -Warning: 't1718' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:28: - - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^ -note: 't1718' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34: +note: 't408' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2568 | t5964 = t1715*t1525 - | ^ -Warning: 't1715' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:14: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:31: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^ -note: 't1715' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't406' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1712' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:87: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:25: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^ -note: 't1712' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2641:61: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't405' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4217:31: - 2641 | t6136 = 0.5555555557e-1_dp*t165*t171*t5122*t17 - | ^ -Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:80: + 4217 | t1101 = t125*t404*t129 + | ^ +Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:19: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^ -note: 't171' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't404' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1709' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:74: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:13: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^ -note: 't1709' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't403' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4348:47: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't1706' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:60: + 4348 | + t1079*t210*t1080*t316) + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:94: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^ -note: 't1706' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't401' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 1894 | *t165*t3865*t237 - | ^ -Warning: 't1703' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:46: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:88: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^ -note: 't1703' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't400' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4214:26: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't1700' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:32: + 4214 | t1079 = t399*t877 + | ^ +Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:78: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^ -note: 't1700' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2484:61: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't399' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2484 | t5738 = 0.4444444445e0_dp*t170*t114*t4782*t451 - | ^ -Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:25: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:66: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^ -note: 't170' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't397' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4212:30: - 2744 | *t27*t6291*t172 - t5397 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:19: + 4212 | t1065 = t96*t115*t391 + | ^ +Warning: 't391' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:48: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2329:55: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't391' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 2329 | t5338 = 0.6666666672e0_dp*t55*t1694*t561 - | ^ -Warning: 't1694' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:84: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:37: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^ -note: 't1694' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't388' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't1689' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:70: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:31: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^ -note: 't1689' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't384' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4119:23: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't1688' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:63: + 4119 | t713 = t4*t381 + | ^ +Warning: 't381' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:19: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^ -note: 't1688' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2420:33: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't381' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4210:65: - 2420 | t5565 = t112*t1685 - | ^ -Warning: 't1685' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:56: + 4210 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 + | ^ +Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:13: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^ -note: 't1685' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't380' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't1684' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:49: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:90: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^ -note: 't1684' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't379' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't1681' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:42: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:84: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^ -note: 't1681' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2398:38: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't377' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4210:65: - 2398 | t5511 = t1680*t3673*t23 - | ^ -Warning: 't1680' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:35: + 4210 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 + | ^ +Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:78: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^ -note: 't1680' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't376' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ -Warning: 't1677' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:21: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:72: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^ -note: 't1677' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't375' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ -Warning: 't1669' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:89: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't374' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:66: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^ -note: 't1669' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2396:52: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't374' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4337:26: - 2396 | t5507 = 0.120e2_dp*t7*t640*t1667*t371 - | ^ -Warning: 't1667' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:82: + 4337 | t1480 = t589*t373 + | ^ +Warning: 't373' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:60: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^ -note: 't1667' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1824:29: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't373' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4210:65: - 1824 | *t3576 - | ^ -Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:54: + 4210 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 + | ^ +Warning: 't370' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:54: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & | ^ -note: 't166' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: +note: 't370' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ -Warning: 't1658' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:48: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't369' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:48: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & | ^ -note: 't1658' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ -Warning: 't1652' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:27: - - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^ -note: 't1652' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2500:57: - - 2500 | t5783 = 0.5555555557e-1_dp*t165*t5013*t433 - | ^ -Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:20: - - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^ -note: 't165' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56: +note: 't369' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2162 | t102*t4838 - 0.20e1_dp*t102*t4850 - | ^ -Warning: 't1645' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:90: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:36: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^ -note: 't1645' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2387:49: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't365' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 2387 | t5482 = 0.2160000000e3_dp*t7*t1642 - | ^ -Warning: 't1642' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:76: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:30: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^ -note: 't1642' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't364' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4194:24: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't1640' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:69: + 4194 | t967 = t361*t82 + | ^ +Warning: 't361' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:24: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^ -note: 't1640' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1070:30: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't361' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 1070 | t1409 = t4*t164 - | ^ -Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:62: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:13: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^ -note: 't164' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't359' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 - | ^ -Warning: 't1632' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:35: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:95: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^ -note: 't1632' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't352' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't1631' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:28: + 4436 | *t461*t320) - (2._dp*t91*t344*t875) + | ^ +Warning: 't345' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:84: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^ -note: 't1631' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't345' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4255:21: - 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 - | ^ -Warning: 't1626' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:91: + 4255 | *t58 + | ^ +Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:78: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^ -note: 't1626' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't344' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't1625' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:84: + 4436 | *t461*t320) - (2._dp*t91*t344*t875) + | ^ +Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:72: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^ -note: 't1625' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't342' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 - | ^ -Warning: 't1622' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:70: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:66: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^ -note: 't1622' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't341' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't1621' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:63: + 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) + | ^ +Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:55: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^ -note: 't1621' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't339' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4193:132: - 2382 | - t5462 + t5466 - t5468 - | ^ -Warning: 't1618' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:49: + 4193 | *t759*t68 - 2._dp*t335*t278 + 2._dp*t85*t769 - t85*t804)) + | ^ +Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:49: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & | ^ -note: 't1618' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - - 1858 | *t321*t953*t1625 - | ^ -Warning: 't1617' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:42: +note: 't338' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^ -note: 't1617' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) + | ^ +Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:43: - 1866 | *t339*t969 - | ^ -Warning: 't1616' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:35: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't335' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^ -note: 't1616' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: + 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) + | ^ +Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:37: - 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 - | ^ -Warning: 't1611' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:69: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't332' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^ -note: 't1611' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: + 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) + | ^ +Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:31: - 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 - | ^ -Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:55: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't329' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4193:132: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^ -note: 't161' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2384:51: + 4193 | *t759*t68 - 2._dp*t335*t278 + 2._dp*t85*t769 - t85*t804)) + | ^ +Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:25: - 2384 | t5474 = 0.4266666668e2_dp*t339*t1608 - | ^ -Warning: 't1608' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:49: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't328' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^ -note: 't1608' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:19: - 2382 | - t5462 + t5466 - t5468 - | ^ -Warning: 't1603' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:28: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't325' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4437:97: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^ -note: 't1603' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 4437 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t322*t696 - t80*(t1652 + t1860)*Clda)*sx + | ^ +Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:13: - 1832 | *t3339 - | ^ -Warning: 't1602' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:21: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't322' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^ -note: 't1602' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:93: - 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) - | ^ -Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:95: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't320' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4184:26: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^ -note: 't160' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1081:46: + 4184 | *t210*t917 + | ^ +Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:82: - 1081 | t1439 = 0.1e1_dp/t787/t16*t1438 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:89: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't318' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4184:26: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:64: + 4184 | *t210*t917 + | ^ +Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:76: - 2425 | - 0.80e1_dp*t5565 + t5568 + t5572 + t5574 - | ^ -Warning: 't1599' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:84: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't317' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4348:47: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^ -note: 't1599' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 4348 | + t1079*t210*t1080*t316) + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:70: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & | ^ -Warning: 't1598' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:77: +note: 't316' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^ -note: 't1598' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:64: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't1597' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:70: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't313' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^ -note: 't1597' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:64: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:53: - 2425 | - 0.80e1_dp*t5565 + t5568 + t5572 + t5574 - | ^ -Warning: 't1592' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:49: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't309' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^ -note: 't1592' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:47: - 1866 | *t339*t969 - | ^ -Warning: 't1589' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:35: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't308' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^ -note: 't1589' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2375:46: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:41: - 2375 | t5456 = 0.1280e3_dp*t1582*t1426 - | ^ -Warning: 't1582' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:91: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't305' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^ -note: 't1582' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:35: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't1575' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:63: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't304' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4184:26: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^ -note: 't1575' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2662:30: + 4184 | *t210*t917 + | ^ +Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:29: - 2662 | - t6185 - | ^ -Warning: 't1571' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:49: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't302' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^ -note: 't1571' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: + 4171 | - t249*t210*t872 + | ^ +Warning: 't301' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:23: - 1894 | *t165*t3865*t237 - | ^ -Warning: 't1568' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:35: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't301' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4349:26: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^ -note: 't1568' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: + 4349 | t1562 = t300*t251 + | ^ +Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:17: - 1894 | *t165*t3865*t237 - | ^ -Warning: 't1565' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:28: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't300' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^ -note: 't1565' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:97: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't1564' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:21: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't297' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^ -note: 't1564' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2268:58: + 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) + | ^ +Warning: 't296' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:91: - 2268 | + 0.1500000000e1_dp*t405*t156*t5143 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:89: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't296' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^ -note: 't156' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2676:36: + 4180 | a5*t21*t54*t65 + | ^ +Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:85: - 2676 | t6219 + t6222 - | ^ -Warning: 't1557' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:83: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't295' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^ -note: 't1557' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2662:30: + 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) + | ^ +Warning: 't292' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:79: - 2662 | - t6185 - | ^ -Warning: 't1553' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:69: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't292' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^ -note: 't1553' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1622:39: + 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) + | ^ +Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:73: - 1622 | *t400*t401*t2230 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:55: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't291' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 4171 | - t249*t210*t872 + | ^ +Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:62: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't1547' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:42: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't288' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4160:24: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^ -note: 't1547' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: + 4160 | t849 = t287*t18 + | ^ +Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:56: - 2080 | *t289*t294*t1553 - | ^ -Warning: 't1546' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:35: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't287' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^ -note: 't1546' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 4329 | *t199*t285 + t550*t285)) + | ^ +Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:50: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't1536' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:91: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't285' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^ -note: 't1536' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2165:42: + 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 + | ^ +Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:33: - 2165 | t4864 = t217*t46*t1535*t561 - | ^ -Warning: 't1535' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:84: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't279' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4335:132: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^ -note: 't1535' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 4335 | - t561*t278 + 2._dp*t85*t855 - t85*t872) + | ^ +Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:27: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1531' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:77: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't278' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^ -note: 't1531' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2193:52: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:72: - 2193 | t4932 = 0.5000000001e0_dp*t1528*t4908 - | ^ -Warning: 't1528' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:63: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't277' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^ -note: 't1528' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:66: - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 | ^ -Warning: 't1525' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:56: +note: 't274' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^ -note: 't1525' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2613:42: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:55: - 2613 | t6066 = t1519*t705*t561*t65 - | ^ -Warning: 't1519' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:42: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't268' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^ -note: 't1519' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2590:39: + 4148 | t63) + | ^ +Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:49: - 2590 | t6021 = t649*t1518*t1722 - | ^ -Warning: 't1518' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:35: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't266' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^ -note: 't1518' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2191:52: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:43: - 2191 | t4925 = 0.5000000001e0_dp*t1513*t4908 - | ^ -Warning: 't1513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:14: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't262' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^ -note: 't1513' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: + 4148 | t63) + | ^ +Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:37: - 1984 | t192*t68*t4256*t65 - | ^ -Warning: 't1510' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:87: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't261' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^ -note: 't1510' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 4148 | t63) + | ^ +Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:31: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:80: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't260' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2185:52: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:25: - 2185 | t4911 = 0.8999999998e1_dp*t1507*t4909 - | ^ -Warning: 't1507' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:67: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't259' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4383:22: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^ -note: 't1507' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2182:57: + 4383 | *t320 + | ^ +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:19: - 2182 | t4907 = 0.2250000000e2_dp*t1506*t471*t4905 - | ^ -Warning: 't1506' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:60: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't258' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^ -note: 't1506' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 4148 | t63) + | ^ +Warning: 't252' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:13: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't1505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:53: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't252' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4149:25: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^ -note: 't1505' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: + 4149 | t804 = t251*t803 + | ^ +Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:95: - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't1504' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:46: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't251' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4139:33: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^ -note: 't1504' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39: + 4139 | t767 = 0.1e1_dp/t250/t67 + | ^ +Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:89: - 2175 | t4895 = t478*t1500*t4729 - | ^ -Warning: 't1500' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:32: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't250' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + 4171 | - t249*t210*t872 | ^ -note: 't1500' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:656:32: +Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:78: - 656 | t428 = omega*t150 - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:25: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't249' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^ -note: 't150' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2172:57: + 4171 | - t249*t210*t872 + | ^ +Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:66: - 2172 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729 - | ^ -Warning: 't1493' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:90: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't247' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: - 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & - | ^ -note: 't1493' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 + | ^ +Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:60: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:76: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't246' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4221:26: - 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & - | ^ -note: 't149' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: + 4221 | t1121 = t245*t251 + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:54: - 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) - | ^ -Warning: 't1483' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:56: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't245' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & - | ^ -note: 't1483' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:48: - 2234 | + t5032 + t5035 - | ^ -Warning: 't1471' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:28: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't242' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & - | ^ -note: 't1471' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't238' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:37: - 1784 | t165*t171*t3449 - | ^ -Warning: 't1470' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:74: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't238' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4129:25: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^ -note: 't1470' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 4129 | t748 = t237*t231 + | ^ +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:31: - 2234 | + t5032 + t5035 - | ^ -Warning: 't1466' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:61: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't237' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^ -note: 't1466' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 4135 | *t25*t756) + | ^ +Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:25: - 2234 | + t5032 + t5035 - | ^ -Warning: 't1459' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:48: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't236' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4164:34: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^ -note: 't1459' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: + 4164 | (48._dp*t313*t274) + | ^ +Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:19: - 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 - | ^ -Warning: 't1447' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:21: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't235' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4255:21: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + 4255 | *t58 | ^ -note: 't1447' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: +Warning: 't234' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:13: - 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 - | ^ -Warning: 't1444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:14: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't234' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^ -note: 't1444' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2439:54: + 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) + | ^ +Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:79: - 2439 | - t5602 + t5604 + t5607 + t5610 - | ^ -Warning: 't1443' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:97: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't228' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1443' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:73: - 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't1440' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:90: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't227' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4158:72: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1440' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: + 4158 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) + | ^ +Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:67: - 2080 | *t289*t294*t1553 - | ^ -Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:83: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't224' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + 4135 | *t25*t756) | ^ -note: 't144' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1843:34: +Warning: 't223' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:61: - 1843 | t3679 = t2565*t1439 - | ^ -Warning: 't1439' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:77: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't223' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1439' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:55: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't1438' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:70: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't222' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1438' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 4171 | - t249*t210*t872 + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:38: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:56: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't219' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1429' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:32: - 2382 | - t5462 + t5466 - t5468 - | ^ -Warning: 't1426' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:49: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't218' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1426' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: + 4329 | *t199*t285 + t550*t285)) + | ^ +Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:19: - 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 - | ^ -Warning: 't1425' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:42: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't217' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1425' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:46: + 4148 | t63) + | ^ +Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:13: - 2382 | - t5462 + t5466 - t5468 - | ^ -Warning: 't1420' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:35: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't216' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1420' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 4171 | - t249*t210*t872 + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:76: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't1411' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:14: + 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & + | ^ +note: 't213' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^ -note: 't1411' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:70: + 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:70: - 2652 | *t4895)*t149*t160 + t6155 - t6158 + (4*t6160) + 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & | ^ -Warning: 't1410' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:94: - - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^ -note: 't1410' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - - 714 | t46*t541))*sx - | ^ -Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:87: +note: 't212' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4174:24: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^ -note: 't141' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 4174 | t878 = t210*t68 + | ^ +Warning: 't210' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:57: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't1409' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:81: + 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & + | ^ +note: 't210' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4171:32: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^ -note: 't1409' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2772:54: + 4171 | - t249*t210*t872 + | ^ +Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:46: - 2772 | + t6119 - t6123 + t6126 - t6129 - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:53: + 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & + | ^ +note: 't209' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4154:25: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: + 4154 | t813 = t287*t208 + | ^ +Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:40: - 2043 | + (2*t147*t1284*t672) - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:47: + 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & + | ^ +note: 't208' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4426:65: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2442:57: + 4426 | *t1739 + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t1712) + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3697:57: - 2442 | t5622 = 0.1666666667e0_dp*t165*t1392*t4729 + 3697 | t917, t92, t920, t922, t93, t932, t933, t94, t95, t96, t964, t967, t968 | ^ -Warning: 't1392' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:28: - - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^ -note: 't1392' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - - 2043 | + (2*t147*t1284*t672) - | ^ -Warning: 't1388' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:21: +note: 't95' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^ -note: 't1388' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3697:52: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1387' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:14: + 3697 | t917, t92, t920, t922, t93, t932, t933, t94, t95, t96, t964, t967, t968 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4097:115: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^ -note: 't1387' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 4097 | *t511*t670) + 0.3e1_dp/0.2e1_dp*(t511)*(t673))*t185 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3697:35: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't1377' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:95: + 3697 | t917, t92, t920, t922, t93, t932, t933, t94, t95, t96, t964, t967, t968 + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3982:29: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't1377' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40: + 3982 | t437 = t110*t92*t144 + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3697:18: - 2505 | t5797 = t1373*t1962*t1829 - | ^ -Warning: 't1373' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:88: + 3697 | t917, t92, t920, t922, t93, t932, t933, t94, t95, t96, t964, t967, t968 + | ^ +note: 't92' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4329:110: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't1373' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: + 4329 | *t199*t285 + t550*t285)) + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:91: - 2260 | *t105*t5118 - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:74: + 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4268:30: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't137' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: + 4268 | t1240 = t180*t90*t149 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:80: - 1784 | t165*t171*t3449 - | ^ -Warning: 't1368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:68: + 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4143:32: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't1368' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: + 4143 | t781 = 0.1e1_dp/t9/t743 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:75: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't1360' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:54: + 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4439:111: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't1360' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85: + 4439 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:53: - 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:47: + 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3925:24: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 3925 | t332 = t218*t87 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3696:18: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't1348' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:41: + 3696 | t855, t87, t871, t872, t875, t877, t878, t88, t892, t893, t899, t9, t90, t900, t91, t916, & + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4439:111: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't1348' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: + 4439 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3695:92: - 1911 | *t400*t1333*t1410 - | ^ -Warning: 't1340' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:27: + 3695 | t803, t804, t806, t81, t811, t813, t816, t82, t820, t83, t84, t843, t844, t849, t85, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4398:81: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't1340' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2449:57: + 4398 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3695:69: - 2449 | t5641 = 0.1500000000e1_dp*t405*t1333*t4729 - | ^ -Warning: 't1333' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:20: + 3695 | t803, t804, t806, t81, t811, t813, t816, t82, t820, t83, t84, t843, t844, t849, t85, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4090:21: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't1333' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: + 4090 | omega + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3695:64: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:13: + 3695 | t803, t804, t806, t81, t811, t813, t816, t82, t820, t83, t84, t843, t844, t849, t85, & + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't82' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3695:53: - 1924 | t1320*t1483 - | ^ -Warning: 't1320' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:93: + 3695 | t803, t804, t806, t81, t811, t813, t816, t82, t820, t83, t84, t843, t844, t849, t85, & + | ^ +note: 't82' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4048:69: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't1320' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 4048 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t322*t206 - t80*t555)*sx + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3694:92: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:86: + 3694 | t752, t756, t759, t760, t762, t765, t767, t768, t769, t77, t772, t78, t781, t8, t80, & + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4128:27: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 4128 | t746 = t24/t8/t743 + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3694:87: - 1924 | t1320*t1483 - | ^ -Warning: 't1316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:80: + 3694 | t752, t756, t759, t760, t762, t765, t767, t768, t769, t77, t772, t78, t781, t8, t80, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4186:22: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't1316' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1537:43: + 4186 | t922 = t78**2 + | ^ +Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3694:77: - 1537 | t2565 = t126/t131/t1056/t130 - | ^ -Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:73: + 3694 | t752, t756, t759, t760, t762, t765, t767, t768, t769, t77, t772, t78, t781, t8, t80, & + | ^ +note: 't78' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4038:24: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't131' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2460:57: + 4038 | t546 = t75*t545 + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3693:93: - 2460 | t5670 = 0.2250000000e1_dp*t400*t1309*t4729 - | ^ -Warning: 't1309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:67: + 3693 | t713, t714, t717, t718, t72, t721, t724, t725, t727, t73, t74, t743, t746, t748, t75, & + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 | ^ -note: 't1309' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2464:57: +Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3693:65: - 2464 | t5679 = 0.1875000000e1_dp*t1302*t406*t5002 - | ^ -Warning: 't1302' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:60: + 3693 | t713, t714, t717, t718, t72, t721, t724, t725, t727, t73, t74, t743, t746, t748, t75, & + | ^ +note: 't73' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4188:64: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't1302' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1901:33: + 4188 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t72*t258*t231 + | ^ +Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3693:36: - 1901 | t3939 = t1301*t245 - | ^ -Warning: 't1301' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:53: + 3693 | t713, t714, t717, t718, t72, t721, t724, t725, t727, t73, t74, t743, t746, t748, t75, & + | ^ +note: 't72' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3919:53: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + 3919 | t320 = 2._dp*t288*t70 + t11*t302 - t249*t318 | ^ -note: 't1301' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3692:52: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't1300' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:46: + 3692 | t690, t691, t695, t696, t698, t699, t7, t70, t704, t705, t706, t708, t709, t71, t712, & + | ^ +note: 't70' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4152:67: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't1300' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:911:30: + 4152 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:96: - 911 | t1056 = t130**2 - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:39: + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4439:111: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:809:44: + 4439 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:73: - 809 | t796 = 0.1e1_dp/t787/t13*t795 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:33: + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4139:33: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + 4139 | t767 = 0.1e1_dp/t250/t67 | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2365:57: +Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3691:50: - 2365 | t5429 = 0.1666666667e0_dp*t445*t1292*t5143 - | ^ -Warning: 't1292' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:28: + 3691 | REAL(KIND=dp) :: t652, t656, t661, t664, t67, t670, t673, t677, t68, t681, t684, t687, t69, & + | ^ +note: 't67' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't1292' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: + 4180 | a5*t21*t54*t65 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:71: - 2043 | + (2*t147*t1284*t672) + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: + + 4148 | t63) | ^ -Warning: 't1284' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:14: +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3690:42: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^ -note: 't1284' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: + 3690 | t623, t626, t627, t628, t629, t63, t635, t637, t638, t649, t65, t651 + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 2020 | *t429*t1928*t290 - | ^ -Warning: 't1283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:96: + 4148 | t63) + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3689:57: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^ -note: 't1283' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 3689 | t596, t599, t6, t60, t603, t604, t607, t608, t61, t610, t611, t612, t616, t617, t621, & + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't1275' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:89: + 4148 | t63) + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3687:77: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^ -note: 't1275' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't1264' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:75: + 4180 | a5*t21*t54*t65 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:65: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^ -note: 't1264' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 1551 | *t2565*t796 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:68: + 4148 | t63) + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3685:30: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 3685 | t471, t478, t479, t48, t480, t483, t484, t485, t486, t49, t490, t493, t499, t5, t500, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4130:26: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't1247' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:55: + 4130 | t752 = t46*t31*t6 + | ^ +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3684:62: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^ -note: 't1247' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2498:59: + 3684 | REAL(KIND=dp) :: t445, t451, t452, t453, t456, t457, t46, t461, t462, t463, t466, t470, & + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4030:24: - 2498 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009 - | ^ -Warning: 't1246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:48: + 4030 | t533 = t193*t44 + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3683:48: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + 3683 | t428, t429, t433, t435, t437, t438, t44, t441, t442, t443, t444 | ^ -note: 't1246' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: +note: 't44' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1235' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:27: + 4148 | t63) + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3682:71: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^ -note: 't1235' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 3682 | t403, t404, t405, t406, t408, t41, t416, t417, t418, t419, t42, t420, t422, t423, t424, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3881:22: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:20: + 3881 | t249 = t4*t18 + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:82: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3887:24: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:14: + 3887 | t260 = t39*t259 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3681:42: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^ -note: 't1224' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3915:26: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:95: + 3915 | t313 = a5*t38*t54 + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:95: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & | ^ -note: 't1221' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:620:81: - - 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:88: +note: 't38' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 4148 | t63) + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3680:18: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't1216' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:82: + 3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3884:24: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^ -note: 't1216' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: + 3884 | t252 = t35*t235 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:89: - 1984 | t192*t68*t4256*t65 - | ^ -Warning: 't1213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:75: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4222:25: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^ -note: 't1213' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 4222 | t1124 = t34*t767 + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3679:60: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't1207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:61: + 3679 | t322, t325, t328, t329, t332, t335, t338, t339, t34, t341, t342, t344, t345, t35, t352, & + | ^ +note: 't34' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^ -note: 't1207' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 4180 | a5*t21*t54*t65 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:87: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1201' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:47: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3875:27: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^ -note: 't1201' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 3875 | t242 = t27*t46*t31 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3678:58: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:40: + 3678 | t3, t300, t301, t302, t304, t305, t308, t309, t31, t313, t316, t317, t318, t32, t320, & + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^ -note: 't1200' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:901:31: + 4135 | *t25*t756) + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:67: - 901 | t1033 = t308*t12 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:33: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: + 4148 | t63) + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3677:38: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:28: + 3677 | REAL(KIND=dp) :: t278, t279, t28, t280, t285, t287, t288, t29, t291, t292, t295, t296, t297, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4131:28: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + 4131 | t756 = t27*t266*t31 | ^ -note: 't1194' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3676:60: - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ -Warning: 't1193' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:69: + 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^ -note: 't1193' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: + 4135 | *t25*t756) + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3675:83: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1192' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:62: + 3675 | t234, t235, t236, t237, t238, t24, t242, t245, t246, t247, t248, t249, t25, t250, t251, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3872:24: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^ -note: 't1192' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 3872 | t236 = t22*t235 + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3674:43: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:48: + 3674 | t216, t217, t2174, t218, t219, t22, t221, t222, t223, t224, t227, t228, t23, t231, t232, & + | ^ +note: 't22' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4180:30: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: + 4180 | a5*t21*t54*t65 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:51: - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't1189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:42: + 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4331:64: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^ -note: 't1189' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2512:57: + 4331 | - t80*(t1189 + t1408)*Clda)*sx + | ^ +Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3673:13: - 2512 | t5819 = 0.1800000000e2_dp*t478*t1176*t4729 - | ^ -Warning: 't1176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:35: + 3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, & + | ^ +note: 't206' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^ -note: 't1176' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3672:63: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't1172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:28: + 3672 | t197, t1979, t198, t1981, t1989, t199, t1999, t2, t200, t2003, t2007, t2013, t202, t2050, & + | ^ +note: 't200' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^ -note: 't1172' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3672:46: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't1168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:21: + 3672 | t197, t1979, t198, t1981, t1989, t199, t1999, t2, t200, t2003, t2007, t2013, t202, t2050, & + | ^ +note: 't199' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4468:36: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^ -note: 't1168' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 4468 | - (4._dp*t568*t570) + | ^ +Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:95: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't1161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:14: + 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & + | ^ +note: 't195' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4027:29: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^ -note: 't1161' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: + 4027 | t528 = t194*t44*t325 + | ^ +Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:82: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:95: + 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & + | ^ +note: 't194' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4033:25: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: + 4033 | t538 = t193*t258 + | ^ +Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:69: - 1976 | *t3382 - | ^ -Warning: 't1157' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:89: + 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & + | ^ +note: 't193' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1157' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2529:57: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:57: - 2529 | t5864 = 0.1800000000e2_dp*t473*t1150*t4729 + 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & | ^ -Warning: 't1150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:82: +note: 't190' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4175:54: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1150' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1213:29: + 4175 | t892 = 2._dp*a1*t3*t19 + 12._dp*a2*t1*t24*t32 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:51: - 1213 | *t1681 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:75: + 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4046:86: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2506:57: + 4046 | + t550*t199) + | ^ +Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:19: - 2506 | t5801 = 0.3600000000e2_dp*t1143*t479*t5002 - | ^ -Warning: 't1143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:69: + 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & + | ^ +note: 't186' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4097:115: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1143' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 4097 | *t511*t670) + 0.3e1_dp/0.2e1_dp*(t511)*(t673))*t185 + | ^ +Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3671:13: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't1142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:62: + 3671 | t185, t186, t1860, t1878, t1886, t189, t19, t190, t192, t193, t1935, t194, t1945, t195, & + | ^ +note: 't185' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4296:26: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1142' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2796:40: + 4296 | t1331 = t166*t181 + | ^ +Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3670:79: - 2796 | t6596 = t5247*t1141*t4733 - | ^ -Warning: 't1141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:55: + 3670 | REAL(KIND=dp) :: t1762, t1765, t177, t1781, t1796, t18, t180, t1804, t181, t1812, t1834, & + | ^ +note: 't181' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3881:22: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1141' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:620:81: + 3881 | t249 = t4*t18 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3670:60: - 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:41: + 3670 | REAL(KIND=dp) :: t1762, t1765, t177, t1781, t1796, t18, t180, t1804, t181, t1812, t1834, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4413:26: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 4413 | t1796 = t176*t177 + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3670:41: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:35: + 3670 | REAL(KIND=dp) :: t1762, t1765, t177, t1781, t1796, t18, t180, t1804, t181, t1812, t1834, & + | ^ +note: 't177' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4046:86: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1137' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 4046 | + t550*t199) + | ^ +Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3669:59: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:28: + 3669 | t17, t170, t1712, t1719, t1731, t1737, t1739, t174, t1747, t1753, t176 + | ^ +note: 't174' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1134' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) + | ^ +Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3669:18: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't1129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:21: + 3669 | t17, t170, t1712, t1719, t1731, t1737, t1739, t174, t1747, t1753, t176 + | ^ +note: 't170' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4135:83: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1129' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 4135 | *t25*t756) + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3669:12: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't1126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:14: + 3669 | t17, t170, t1712, t1719, t1731, t1737, t1739, t174, t1747, t1753, t176 + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4271:40: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^ -note: 't1126' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 4271 | t1250 = 0.1e1_dp/t169/t156/t155 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3668:80: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:95: + 3668 | t1645, t1652, t166, t167, t1675, t1678, t168, t1685, t1687, t1688, t169, t1692, t1695, & + | ^ +note: 't169' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4436:71: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1125' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 4436 | *t461*t320) - (2._dp*t91*t344*t875) + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3668:53: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:88: + 3668 | t1645, t1652, t166, t167, t1675, t1678, t168, t1685, t1687, t1688, t169, t1692, t1695, & + | ^ +note: 't168' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4400:26: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1122' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2420:33: + 4400 | t1737 = t166*t167 + | ^ +Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3668:33: - 2420 | t5565 = t112*t1685 + 3668 | t1645, t1652, t166, t167, t1675, t1678, t168, t1685, t1687, t1688, t169, t1692, t1695, & | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:81: - - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: +note: 't167' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3997:24: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:75: + 3997 | t466 = t93*t163 + | ^ +Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:85: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1119' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & + | ^ +note: 't163' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4293:35: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't1111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:68: + 4293 | t1315 = 0.1e1_dp/t162/t155 + | ^ +Warning: 't162' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:65: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1111' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & + | ^ +note: 't162' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3864:24: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't1109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:61: + 3864 | t223 = t16*t222 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:52: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1109' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: + 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4494:68: - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ -Warning: 't1106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:54: + 4494 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) + | ^ +Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:33: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: + 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & + | ^ +note: 't159' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4261:41: - 1984 | t192*t68*t4256*t65 + 4261 | t1213 = 0.1e1_dp/t158/t1210/t155 | ^ -Warning: 't1101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:47: +Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3667:20: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1101' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 3667 | t1578, t158, t1583, t159, t1592, t1594, t16, t1608, t162, t1620, t1627, t163, t1632, & + | ^ +note: 't158' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3992:34: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:40: + 3992 | t456 = 0.1e1_dp/t158/t157 + | ^ +Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:95: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1100' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:738:30: + 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & + | ^ +note: 't157' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4082:25: - 738 | t624 = beta*t11 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:33: + 4082 | t637 = t156*t320 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:82: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: + 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & + | ^ +note: 't156' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4085:25: - 1984 | t192*t68*t4256*t65 - | ^ -Warning: 't1097' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:21: + 4085 | t651 = t155*t320 + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:76: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1097' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4470:27: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't1093' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:14: + 4470 | t2060 = t154*t1886 + | ^ +Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:70: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^ -note: 't1093' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & + | ^ +note: 't154' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4386:26: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't1085' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:89: + 4386 | t1685 = t151*t152 + | ^ +Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:50: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^ -note: 't1085' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:741:45: + 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & + | ^ +note: 't152' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3962:24: - 741 | t635 = -4*t108 + 4*t332*my_rho - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:75: + 3962 | t401 = t15*t131 + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:25: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2322:56: + 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4481:58: - 2322 | t5320 = 0.3333333336e0_dp*t83*t1071*t4729 - | ^ -Warning: 't1071' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:55: + 4481 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) + | ^ +Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3666:20: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^ -note: 't1071' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: + 3666 | t1488, t149, t15, t150, t151, t1511, t152, t1522, t1535, t154, t155, t156, t1562, t157, & + | ^ +note: 't149' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4032:25: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:48: + 4032 | t537 = t148*t500 + | ^ +Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3665:78: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^ -note: 't107' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34: + 3665 | t1401, t1402, t1408, t141, t142, t1437, t144, t1446, t145, t147, t148, t1480, t1482, & + | ^ +note: 't148' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4257:31: - 1932 | t1292*t1829 - | ^ -Warning: 't1067' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:35: + 4257 | t1202 = t176*t147*t149 + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3665:72: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^ -note: 't1067' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 3665 | t1401, t1402, t1408, t141, t142, t1437, t144, t1446, t145, t147, t148, t1480, t1482, & + | ^ +note: 't147' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 1832 | *t3339 - | ^ -Warning: 't1064' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:28: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3665:66: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^ -note: 't1064' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 3665 | t1401, t1402, t1408, t141, t142, t1437, t144, t1446, t145, t147, t148, t1480, t1482, & + | ^ +note: 't145' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3981:25: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't1063' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:21: + 3981 | t435 = t141*t142 + | ^ +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3665:34: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^ -note: 't1063' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: + 3665 | t1401, t1402, t1408, t141, t142, t1437, t144, t1446, t145, t147, t148, t1480, t1482, & + | ^ +note: 't141' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3950:24: - 2726 | *t1054*t640*t3679 - | ^ -Warning: 't1060' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:14: + 3950 | t381 = t208*t14 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3664:81: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^ -note: 't1060' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1462:31: + 3664 | t1337, t1346, t1350, t136, t1363, t1372, t1382, t1386, t1388, t1393, t14, t140, t1400, & + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 1462 | t2204 = t10*t106 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:95: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3664:34: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: + 3664 | t1337, t1346, t1350, t136, t1363, t1372, t1382, t1386, t1388, t1393, t14, t140, t1400, & + | ^ +note: 't136' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3977:43: - 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't1058' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:82: + 3977 | + t416*t424/0.2e1_dp) + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3663:88: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't1058' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: + 3663 | REAL(KIND=dp) :: t1300, t1304, t1308, t1309, t131, t1315, t1316, t132, t1326, t133, t1331, & + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ -Warning: 't1055' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:68: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3663:75: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't1055' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: + 3663 | REAL(KIND=dp) :: t1300, t1304, t1308, t1309, t131, t1315, t1316, t132, t1326, t133, t1331, & + | ^ +note: 't132' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3962:24: - 2726 | *t1054*t640*t3679 - | ^ -Warning: 't1054' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:61: + 3962 | t401 = t15*t131 + | ^ +Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3663:55: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't1054' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3663 | REAL(KIND=dp) :: t1300, t1304, t1308, t1309, t131, t1315, t1316, t132, t1326, t133, t1331, & + | ^ +note: 't131' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3977:43: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1050' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:54: + 3977 | + t416*t424/0.2e1_dp) + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3662:78: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't1050' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 3662 | t1256, t126, t1260, t1264, t127, t1273, t128, t1288, t129, t1295, t13 + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4363:132: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:47: + 4363 | t419*t77*t871)/0.2e1_dp) + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3662:66: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 3662 | t1256, t126, t1260, t1264, t127, t1273, t128, t1288, t129, t1295, t13 + | ^ +note: 't129' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4501:106: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't1046' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:41: + 4501 | t549*t199 - t690*t1401*t1620 + t691*t320) + | ^ +Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3662:53: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't1046' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 3662 | t1256, t126, t1260, t1264, t127, t1273, t128, t1288, t129, t1295, t13 + | ^ +note: 't128' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3977:43: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't1044' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:34: + 3977 | + t416*t424/0.2e1_dp) + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3662:40: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't1044' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2416:60: + 3662 | t1256, t126, t1260, t1264, t127, t1273, t128, t1288, t129, t1295, t13 + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3965:25: - 2416 | t5558 = 0.320e2_dp*t5060*t97*t104*my_rho*t233 - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:20: + 3965 | t405 = t125*t404 + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3661:74: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3661 | t1216, t1220, t123, t1230, t1235, t124, t1240, t1241, t1242, t125, t1250, t1251, t1252, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4213:25: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1036' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:14: + 4213 | t1068 = t96*t124 + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3661:47: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^ -note: 't1036' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3661 | t1216, t1220, t123, t1230, t1235, t124, t1240, t1241, t1242, t125, t1250, t1251, t1252, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4075:97: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1034' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:96: + 4075 | *t123*t136) + (2._dp*t368*t617))*t140 + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3661:27: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1034' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3661 | t1216, t1220, t123, t1230, t1235, t124, t1240, t1241, t1242, t125, t1250, t1251, t1252, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4457:57: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1030' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:82: + 4457 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3660:65: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1030' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:877:29: + 3660 | t1189, t119, t1193, t12, t120, t1202, t1203, t1204, t121, t1210, t1213, t1214, t1215, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4345:116: - 877 | t972 = t103**2 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:75: + 4345 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) + | ^ +Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3660:38: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3660 | t1189, t119, t1193, t12, t120, t1202, t1203, t1204, t121, t1210, t1213, t1214, t1215, & + | ^ +note: 't120' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4148:44: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1026' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:69: + 4148 | t63) + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3660:32: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1026' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3660 | t1189, t119, t1193, t12, t120, t1202, t1203, t1204, t121, t1210, t1213, t1214, t1215, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3953:29: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1024' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:62: + 3953 | t388 = t119*t218*t77 + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3660:20: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1024' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3660 | t1189, t119, t1193, t12, t120, t1202, t1203, t1204, t121, t1210, t1213, t1214, t1215, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4210:65: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1021' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:55: + 4210 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3659:94: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1021' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:2404:43: + 3659 | t1143, t1147, t115, t1154, t1156, t116, t1162, t1169, t117, t1170, t1178, t1179, t118, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3942:25: - 2404 | t5528 = t102*t327*t1684*t557 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:48: + 3942 | t370 = t369*t117 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3659:67: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: + 3659 | t1143, t1147, t115, t1154, t1156, t116, t1162, t1169, t117, t1170, t1178, t1179, t118, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3944:25: - 1765 | t12*t1058 - | ^ -Warning: 't1014' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:35: + 3944 | t374 = t116*t373 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3659:47: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1014' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3659 | t1143, t1147, t115, t1154, t1156, t116, t1162, t1169, t117, t1170, t1178, t1179, t118, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4075:97: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1012' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:28: + 4075 | *t123*t136) + (2._dp*t368*t617))*t140 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3658:92: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1012' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 3658 | t1080, t109, t1096, t11, t110, t1101, t1102, t111, t1114, t1115, t1121, t1124, t113, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3982:29: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1008' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:21: + 3982 | t437 = t110*t92*t144 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3658:38: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1008' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 3658 | t1080, t109, t1096, t11, t110, t1101, t1102, t111, t1114, t1115, t1121, t1124, t113, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3899:19: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't1004' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:14: + 3899 | *t5 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3658:32: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^ -note: 't1004' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 3658 | t1080, t109, t1096, t11, t110, t1101, t1102, t111, t1114, t1115, t1121, t1124, t113, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:4241:38: - 1832 | *t3339 - | ^ -Warning: 't1000' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:90: + 4241 | *(t435)*(t437)*(t976) + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3657:94: - 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & - | ^ -note: 't1000' was declared here -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:896:50: + 3657 | t1005, t1015, t102, t1025, t1032, t104, t105, t1056, t1060, t1065, t1068, t1079, t108, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3866:24: - 896 | t1019 = 0.1e1_dp/t19/t1014*t787*t10 - | ^ + 3866 | t227 = t10*t217 + | ^ Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:83: +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3656:88: - 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & - | ^ + 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & + | ^ note: 't10' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_tpss.mod' due to: xc_tpss.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3943:26: + + 3943 | t373 = t251*t1*t3 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:3656:83: + + 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_tb.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_cp2k_mm.mod kinds.mod input_constants.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_tb.F input_cp2k_tb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xpbe_hole_t_c_lr.mod' due to: xc_xpbe_hole_t_c_lr.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod xc_derivative_desc.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_tb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_exchange_gga.mod' due to: xc_exchange_gga.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_exchange_gga.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod cp_log_handling.mod mathconstants.mod kinds.mod xc_input_constants.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_pade.mod' due to: xc_pade.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod bibliography.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_perdew_zunger.mod' due to: xc_perdew_zunger.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_zunger.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod xc_input_constants.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xpbe_hole_t_c_lr.mod' due to: xc_xpbe_hole_t_c_lr.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_thomas_fermi.mod' due to: xc_thomas_fermi.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod kinds.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbecke88_long_range.mod' due to: xc_xbecke88_long_range.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_pbe.mod' due to: xc_pbe.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_pbe.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod xc_input_constants.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xlda_hole_t_c_lr.mod' due to: xc_xlda_hole_t_c_lr.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathlib.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:440:96: + + 440 | ei_interaction_cutoffs(2, kind_a, kind_b)) + | ^ +Warning: 'qcore_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:60: + + 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qcore_b' was declared here +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:397:96: + + 397 | ei_interaction_cutoffs(1, kind_a, kind_b)) + | ^ +Warning: 'qcore_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:51: + + 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qcore_a' was declared here +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:417:96: + + 417 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qshell_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:96: + + 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qshell_b' was declared here +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:417:96: + + 417 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qshell_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:86: + + 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qshell_a' was declared here +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:476:96: + + 476 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qeff_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:76: + + 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qeff_b' was declared here +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:458:96: + + 458 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qeff_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:105:68: + + 105 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qeff_a' was declared here +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:99:59: + + 99 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type + | ^ +Warning: 'shell_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:444:59: + + 444 | ELSE IF ((shell_type == nosh_sh) .AND. (shell_a == 0)) THEN + | ^ +Warning: 'shell_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F:99:50: + + 99 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type + | ^ +note: 'shell_a' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_tpss.mod' due to: xc_tpss.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_tpss.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_lyp_adiabatic.mod' due to: xc_lyp_adiabatic.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod bibliography.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbecke88.mod' due to: xc_xbecke88.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_ke_gga.mod' due to: xc_ke_gga.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod xc_input_constants.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_optx.mod' due to: xc_optx.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod kinds.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_cs1.mod' due to: xc_cs1.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_cs1.mod' due to: xc_cs1.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_cs1.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_optx.mod' due to: xc_optx.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_optx.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_b97.mod' due to: xc_b97.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_b97.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod xc_input_constants.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_tfw.mod' due to: xc_tfw.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbecke_roussel.mod' due to: xc_xbecke_roussel.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke_roussel.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_perdew_wang.mod' due to: xc_perdew_wang.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_input_constants.mod xc_derivative_desc.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_perdew_wang.mod' due to: xc_perdew_wang.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew_wang.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod xc_input_constants.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_perdew86.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod xc_input_constants.mod xc_perdew_zunger.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew86.F xc_perdew86.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_hcth.mod' due to: xc_hcth.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_lyp_adiabatic.mod' due to: xc_lyp_adiabatic.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp_adiabatic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xalpha.mod' due to: xc_xalpha.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_pade.mod' due to: xc_pade.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_pade.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod bibliography.mod xc_derivative_desc.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_perdew86.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbeef.mod' due to: xc_xbeef.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbeef.mod' due to: xc_xbeef.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbeef.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_thomas_fermi.mod' due to: xc_thomas_fermi.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_thomas_fermi.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_tfw.mod' due to: xc_tfw.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_tfw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod kinds.mod xc_derivative_desc.mod true /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5635:90: @@ -41518,8 +41543,6 @@ 3321 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: 't697' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_num.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod multipole_types.mod taper_types.mod semi_empirical_int_arrays.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod semi_empirical_int_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:2693:13: 2693 | t697, t699, t7, t70, t702, t705, t709, t71, t710, t714, t72, t723, t725, t727, t73, t733, & @@ -41910,6 +41933,8 @@ 3513 | *t585 - 0.27e2_dp/0.4e1_dp*t2069*t2155 | ^ Warning: 't585' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xlda_hole_t_c_lr.mod' due to: xc_xlda_hole_t_c_lr.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xlda_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod base_hooks.mod mathconstants.mod kinds.mod mathlib.mod xc_derivative_desc.mod +true /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:2689:80: 2689 | REAL(KIND=dp) :: t565, t566, t569, t574, t577, t579, t58, t583, t584, t585, t587, t588, & @@ -44505,22 +44530,35 @@ 2654 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: 't1' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_tmc.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod bibliography.mod input_cp2k_mm.mod kinds.mod base_hooks.mod tmc_stati.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_num.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:33:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_tmc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ps_implicit_methods.mod' due to: ps_implicit_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/ps_implicit_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_poisson_types.mod dielectric_types.mod pw_pool_types.mod pw_types.mod pw_grid_types.mod ps_implicit_types.mod pw_methods.mod message_passing.mod kahan_sum.mod bibliography.mod dirichlet_bc_methods.mod mathconstants.mod cp_log_handling.mod dct.mod kinds.mod base_hooks.mod dielectric_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kpp1_env_types.mod' due to: qs_kpp1_env_types.o /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_rho_set_types.mod xc_derivative_set_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xalpha.mod' due to: xc_xalpha.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xalpha.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod kinds.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_subsys.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_colvar.mod input_cp2k_mm.mod input_constants.mod physcon.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_tb.mod' due to: input_cp2k_tb.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_cp2k_mm.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_ke_gga.mod' due to: xc_ke_gga.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_ke_gga.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_array_utils.mod xc_functionals_utilities.mod mathconstants.mod kinds.mod xc_input_constants.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod mathconstants.mod xc_xbecke_roussel.mod xc_xpbe_hole_t_c_lr.mod kinds.mod xc_xlda_hole_t_c_lr.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_perdew86.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_functionals_utilities.mod xc_perdew_zunger.mod kinds.mod xc_input_constants.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew86.F xc_perdew86.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod xc_xpbe_hole_t_c_lr.mod base_hooks.mod xc_xbecke_roussel.mod mathconstants.mod xc_xlda_hole_t_c_lr.mod kinds.mod xc_derivative_desc.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_subsys.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_perdew86.mod' due to: xc_perdew86.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod xc_input_constants.mod xc_perdew_zunger.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:18 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_perdew86.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_lyp.mod' due to: xc_lyp.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_lyp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:18 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbr_pbe_lda_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_hcth.mod' due to: xc_hcth.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_hcth.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod cp_log_handling.mod mathconstants.mod kinds.mod xc_derivative_desc.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_num.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 multipole_types.mod taper_types.mod semi_empirical_types.mod base_hooks.mod semi_empirical_int_utils.mod kinds.mod input_constants.mod physcon.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_tmc.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_mm.mod tmc_stati.mod kinds.mod bibliography.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_num.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_poisson_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod ps_implicit_types.mod ps_wavelet_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod ps_wavelet_methods.mod cp_log_handling.mod mathconstants.mod ps_implicit_methods.mod pw_methods.mod kinds.mod pw_grids.mod dielectric_methods.mod mt_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_tmc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_p_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kpp1_env_types.mod qs_local_rho_types.mod preconditioner_types.mod qs_rho_types.mod hartree_local_types.mod cp_fm_types.mod base_hooks.mod cp_fm_vect.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_p_env_types.F qs_p_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_poisson_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_subsys.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod input_cp2k_mm.mod kinds.mod input_constants.mod physcon.mod bibliography.mod input_cp2k_colvar.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_p_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_tb.mod' due to: input_cp2k_tb.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_tb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_cp2k_mm.mod kinds.mod input_constants.mod bibliography.mod true /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:5635:90: @@ -44552,7 +44590,6 @@ 1535 | t96, t962, t965, t968, t97, t971, t972, t979, t982, t988, t99 | ^ note: 't988' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_vwn.mod' due to: xc_vwn.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_functionals_utilities.mod xc_derivative_desc.mod bibliography.mod xc_input_constants.mod kinds.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:2486:30: 2486 | *t620*(t1240) @@ -44618,7 +44655,6 @@ 2604 | t2975) + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2979) | ^ Warning: 't954' may be used uninitialized [-Wmaybe-uninitialized] -true /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:1534:87: 1534 | t918, t919, t92, t93, t930, t932, t933, t937, t94, t942, t945, t95, t951, t954, t958, & @@ -46214,6 +46250,8 @@ 1520 | t507, t508, t509, t510, t511, t513, t514, t515, t517, t518, t522, t525, t529, t530, t531, & | ^ note: 't511' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbecke88_long_range.mod' due to: xc_xbecke88_long_range.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_long_range.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod +true /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:2195:68: 2195 | *t514*t1078*t14*t517 + 0.6e1_dp*t118*t119*t1091*t77 @@ -46559,7 +46597,6 @@ 2142 | - (48._dp*t437*t398) | ^ Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_xbr_pbe_lda_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F:1517:54: 1517 | t419, t42, t420, t421, t424, t425, t426, t428, t429, t432, t433, t437, t44, t440, t441, & @@ -48615,56 +48652,46 @@ 1480 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1001, & | ^ note: 't1' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_num.mod' due to: semi_empirical_int_num.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod multipole_types.mod taper_types.mod semi_empirical_int_arrays.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod semi_empirical_int_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_subsys.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_vwn.mod' due to: xc_vwn.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_vwn.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod xc_functionals_utilities.mod kinds.mod xc_input_constants.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_tmc.mod' due to: input_cp2k_tmc.o /build/reproducible-path/cp2k-2023.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod bibliography.mod input_cp2k_mm.mod kinds.mod base_hooks.mod tmc_stati.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_perdew86.mod' due to: xc_perdew86.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_perdew86.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod base_hooks.mod xc_functionals_utilities.mod xc_perdew_zunger.mod kinds.mod xc_input_constants.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_poisson_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod ps_wavelet_types.mod pw_poisson_types.mod pw_pool_types.mod pw_grid_types.mod ps_implicit_types.mod pw_methods.mod ps_implicit_methods.mod ps_wavelet_methods.mod pw_grids.mod mathconstants.mod cp_log_handling.mod kinds.mod mt_util.mod base_hooks.mod dielectric_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_p_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_local_rho_types.mod cp_fm_types.mod qs_rho_types.mod qs_kpp1_env_types.mod hartree_local_types.mod preconditioner_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_p_env_types.F qs_p_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/pw/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_poisson_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_libxc.mod' due to: xc_libxc.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_libxc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod input_keyword_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_libxc_wrap.mod bibliography.mod xc_derivative_desc.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: xc_xbr_pbe_lda_hole_t_c_lr.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod xc_xpbe_hole_t_c_lr.mod base_hooks.mod xc_xbecke_roussel.mod mathconstants.mod xc_xlda_hole_t_c_lr.mod kinds.mod xc_derivative_desc.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_p_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_ana.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod multipole_types.mod taper_types.mod semi_empirical_int_arrays.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_int_arrays.mod kinds.mod base_hooks.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_ana.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_p_env_types.mod' due to: qs_p_env_types.o /build/reproducible-path/cp2k-2023.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_local_rho_types.mod cp_fm_types.mod qs_rho_types.mod qs_kpp1_env_types.mod hartree_local_types.mod preconditioner_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_num.mod' due to: semi_empirical_int_num.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_num.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 multipole_types.mod taper_types.mod semi_empirical_types.mod base_hooks.mod semi_empirical_int_utils.mod kinds.mod input_constants.mod physcon.mod semi_empirical_int_arrays.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_debug.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: xc_xbr_pbe_lda_hole_t_c_lr.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_derivative_desc.mod mathconstants.mod xc_xbecke_roussel.mod xc_xpbe_hole_t_c_lr.mod kinds.mod xc_xlda_hole_t_c_lr.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_nonbond_force.mod' due to: fist_nonbond_force.o /build/reproducible-path/cp2k-2023.1/src/fist_nonbond_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod fist_neighbor_list_types.mod pair_potential_types.mod particle_types.mod cell_types.mod splines_types.mod atprop_types.mod ewald_environment_types.mod mathconstants.mod message_passing.mod pair_potential_coulomb.mod cp_log_handling.mod kinds.mod base_hooks.mod machine.mod splines_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_period_efield_types.mod qs_force_types.mod task_list_types.mod dm_ls_scf_types.mod qs_p_env_types.mod cp_fm_types.mod input_section_types.mod qs_dispersion_types.mod pw_types.mod qs_neighbor_list_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_env_types.F ec_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_poisson_methods.mod' due to: pw_poisson_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod ps_wavelet_types.mod pw_poisson_types.mod pw_pool_types.mod pw_grid_types.mod ps_implicit_types.mod pw_methods.mod ps_implicit_methods.mod ps_wavelet_methods.mod pw_grids.mod mathconstants.mod cp_log_handling.mod kinds.mod mt_util.mod base_hooks.mod dielectric_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod kinds.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_tmc.mod' due to: input_cp2k_tmc.o /build/reproducible-path/cp2k-2023.1/src/tmc/input_cp2k_tmc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_mm.mod tmc_stati.mod kinds.mod bibliography.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_debug.F90 /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a' due to: rs_methods.o realspace_grid_types.o realspace_grid_cube.o pw_types.o pw_spline_utils.o pw_pool_types.o pw_poisson_types.o pw_poisson_methods.o pw_methods.o pw_grids.o pw_grid_types.o pw_grid_info.o pw_gpu.o pw_fpga.o pw_copy_all.o ps_wavelet_util.o ps_wavelet_types.o ps_wavelet_scaling_function.o ps_wavelet_methods.o ps_wavelet_kernel.o ps_wavelet_fft3d.o ps_wavelet_base.o ps_implicit_types.o ps_implicit_methods.o mt_util.o lazy.o fft_tools.o fast.o dirichlet_bc_types.o dirichlet_bc_methods.o dielectric_types.o dielectric_methods.o dgs.o dg_types.o dg_rho0_types.o dct.o cube_utils.o cp_linked_list_pw.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a rs_methods.o realspace_grid_types.o realspace_grid_cube.o pw_types.o pw_spline_utils.o pw_pool_types.o pw_poisson_types.o pw_poisson_methods.o pw_methods.o pw_grids.o pw_grid_types.o pw_grid_info.o pw_gpu.o pw_fpga.o pw_copy_all.o ps_wavelet_util.o ps_wavelet_types.o ps_wavelet_scaling_function.o ps_wavelet_methods.o ps_wavelet_kernel.o ps_wavelet_fft3d.o ps_wavelet_base.o ps_implicit_types.o ps_implicit_methods.o mt_util.o lazy.o fft_tools.o fast.o dirichlet_bc_types.o dirichlet_bc_methods.o dielectric_types.o dielectric_methods.o dgs.o dg_types.o dg_rho0_types.o dct.o cube_utils.o cp_linked_list_pw.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_pw_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod ewald_environment_types.mod cp_para_types.mod input_section_types.mod pw_pool_types.mod dg_types.mod pw_grid_types.mod cell_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_poisson_read_input.mod cp_realspace_grid_init.mod ao_util.mod kinds.mod pw_grids.mod mathconstants.mod pw_poisson_methods.mod message_passing.mod dgs.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_pw_types.F ewald_pw_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_pw_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_p_env_types.mod' due to: qs_p_env_types.o /build/reproducible-path/cp2k-2023.1/src/qs_p_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kpp1_env_types.mod qs_local_rho_types.mod preconditioner_types.mod qs_rho_types.mod hartree_local_types.mod cp_fm_types.mod base_hooks.mod cp_fm_vect.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_poisson_methods.mod' due to: pw_poisson_methods.o /build/reproducible-path/cp2k-2023.1/src/pw/pw_poisson_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod ps_implicit_types.mod ps_wavelet_types.mod pw_grid_types.mod pw_types.mod base_hooks.mod ps_wavelet_methods.mod cp_log_handling.mod mathconstants.mod ps_implicit_methods.mod pw_methods.mod kinds.mod pw_grids.mod dielectric_methods.mod mt_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_int_ana.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 multipole_types.mod taper_types.mod semi_empirical_types.mod base_hooks.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod kinds.mod input_constants.mod physcon.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_int_ana.F90 /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:184: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/grid_miniapp.psmp' due to: grid_miniapp.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/grid_miniapp.psmp grid_miniapp.o -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/grid_miniapp.psmp grid_miniapp.o -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:180: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/grid_unittest.psmp' due to: grid_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/grid_unittest.psmp grid_unittest.o -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_env_types.mod' due to: ec_env_types.o /build/reproducible-path/cp2k-2023.1/src/ec_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_period_efield_types.mod qs_force_types.mod task_list_types.mod dm_ls_scf_types.mod qs_p_env_types.mod cp_fm_types.mod input_section_types.mod qs_dispersion_types.mod pw_types.mod qs_neighbor_list_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_pw_types.mod' due to: ewald_pw_types.o /build/reproducible-path/cp2k-2023.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod ewald_environment_types.mod cp_para_types.mod input_section_types.mod pw_pool_types.mod dg_types.mod pw_grid_types.mod cell_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_poisson_read_input.mod cp_realspace_grid_init.mod ao_util.mod kinds.mod pw_grids.mod mathconstants.mod pw_poisson_methods.mod message_passing.mod dgs.mod base_hooks.mod +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/grid_unittest.psmp grid_unittest.o -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_dispersion_types.mod qs_period_efield_types.mod dm_ls_scf_types.mod qs_neighbor_list_types.mod qs_force_types.mod task_list_types.mod pw_types.mod qs_p_env_types.mod cp_fm_types.mod base_hooks.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_env_types.F ec_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_pw_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod dg_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod cell_types.mod pw_grid_types.mod ewald_environment_types.mod input_section_types.mod pw_poisson_methods.mod cp_realspace_grid_init.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod pw_grids.mod cp_output_handling.mod base_hooks.mod pw_poisson_read_input.mod dgs.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_pw_types.F ewald_pw_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xwpbe.mod' due to: xc_xwpbe.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod base_hooks.mod mathconstants.mod kinds.mod bibliography.mod mathlib.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'spme.o' due to: /build/reproducible-path/cp2k-2023.1/src/spme.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod atomic_kind_types.mod shell_potential_types.mod ewald_pw_types.mod pw_pool_types.mod pw_grid_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod bibliography.mod pw_methods.mod kinds.mod pw_grids.mod mathconstants.mod pw_poisson_methods.mod message_passing.mod dgs.mod pme_tools.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/spme.F spme.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewalds_multipole.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod parallel_rng_types.mod ewald_environment_types.mod atomic_kind_types.mod fist_neighbor_list_types.mod input_section_types.mod ewald_pw_types.mod dg_types.mod pw_pool_types.mod pw_grid_types.mod distribution_1d_types.mod cell_types.mod structure_factor_types.mod particle_types.mod dg_rho0_types.mod damping_dipole_types.mod bibliography.mod cp_log_handling.mod kinds.mod mathconstants.mod structure_factors.mod message_passing.mod fist_neighbor_list_control.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewalds_multipole.F ewalds_multipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' spme.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_pw_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod pw_poisson_types.mod ewald_pw_types.mod dg_types.mod dg_rho0_types.mod pw_grid_types.mod ewald_environment_types.mod pw_poisson_read_input.mod pw_grids.mod dgs.mod kinds.mod pw_poisson_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_pw_methods.F ewald_pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_pw_types.F90 /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_ana.F:522:93: 522 | dscale = dscale + dzz*fnj1(ig)*EXP(-ax) - dax*zz*fnj1(ig)*EXP(-ax) @@ -48675,13 +48702,19 @@ 359 | dscale, dssss, dssss_sr, dtmp, dzz, enuc_loc, pai, paj, pbi, pbj, qcorr, rij, rija, & | ^ note: 'dzz' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewalds_multipole.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pme.o' due to: /build/reproducible-path/cp2k-2023.1/src/pme.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod atomic_kind_types.mod shell_potential_types.mod ewald_pw_types.mod pw_pool_types.mod dg_types.mod pw_grid_types.mod cell_types.mod structure_factor_types.mod particle_types.mod realspace_grid_types.mod pw_types.mod dg_rho0_types.mod bibliography.mod pw_methods.mod kinds.mod mathconstants.mod pw_poisson_methods.mod structure_factors.mod message_passing.mod dgs.mod pme_tools.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pme.F pme.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_pw_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewalds.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewalds.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod ewald_environment_types.mod atomic_kind_types.mod shell_potential_types.mod ewald_pw_types.mod pw_pool_types.mod dg_types.mod pw_grid_types.mod distribution_1d_types.mod cell_types.mod structure_factor_types.mod particle_types.mod dg_rho0_types.mod bibliography.mod kinds.mod mathconstants.mod structure_factors.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewalds.F ewalds.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pme.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_env_types.mod' due to: ec_env_types.o /build/reproducible-path/cp2k-2023.1/src/ec_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_dispersion_types.mod qs_period_efield_types.mod dm_ls_scf_types.mod qs_neighbor_list_types.mod qs_force_types.mod task_list_types.mod pw_types.mod qs_p_env_types.mod cp_fm_types.mod base_hooks.mod kinds.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_subsys.mod' due to: input_cp2k_subsys.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_units.mod input_cp2k_mm.mod kinds.mod input_constants.mod physcon.mod bibliography.mod input_cp2k_colvar.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_motion_print.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod string_utilities.mod input_constants.mod input_cp2k_subsys.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_pw_types.mod' due to: ewald_pw_types.o /build/reproducible-path/cp2k-2023.1/src/ewald_pw_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod dg_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod cell_types.mod pw_grid_types.mod ewald_environment_types.mod input_section_types.mod pw_poisson_methods.mod cp_realspace_grid_init.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod pw_grids.mod cp_output_handling.mod base_hooks.mod pw_poisson_read_input.mod dgs.mod ao_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/cell_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_parser_types.mod cell_types.mod input_enumeration_types.mod cp_para_types.mod base_hooks.mod cp_units.mod cp_log_handling.mod cp_parser_methods.mod mathconstants.mod kinds.mod input_constants.mod mathlib.mod input_cp2k_subsys.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cell_methods.F cell_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'spme.o' due to: /build/reproducible-path/cp2k-2023.1/src/spme.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod realspace_grid_types.mod ewald_pw_types.mod pw_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod atprop_types.mod ewald_environment_types.mod pw_poisson_methods.mod bibliography.mod mathconstants.mod pw_methods.mod message_passing.mod kinds.mod pw_grids.mod pme_tools.mod base_hooks.mod dgs.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/spme.F spme.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_motion_print.F90 /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_ana.F:216:57: 216 | tmp_d(3, m) = dcore(1, n)*drij(3) @@ -48712,19 +48745,45 @@ 105 | REAL(KIND=dp), DIMENSION(3) :: drij | ^ note: 'drij[0]' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_subsys.mod' due to: input_cp2k_subsys.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_subsys.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_colvar.mod input_cp2k_mm.mod input_constants.mod physcon.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewalds_multipole.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atomic_kind_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_neighbor_list_types.mod damping_dipole_types.mod dg_types.mod ewald_environment_types.mod dg_rho0_types.mod structure_factor_types.mod pw_pool_types.mod particle_types.mod cell_types.mod pw_grid_types.mod parallel_rng_types.mod input_section_types.mod bibliography.mod structure_factors.mod mathconstants.mod fist_neighbor_list_control.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewalds_multipole.F ewalds_multipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_pw_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_pw_types.mod pw_grid_types.mod dg_types.mod ewald_environment_types.mod input_section_types.mod pw_poisson_methods.mod base_hooks.mod pw_grids.mod pw_poisson_read_input.mod dgs.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_pw_methods.F ewald_pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' spme.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewalds_multipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_pw_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pme.o' due to: /build/reproducible-path/cp2k-2023.1/src/pme.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod realspace_grid_types.mod ewald_pw_types.mod pw_types.mod dg_types.mod dg_rho0_types.mod structure_factor_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod atprop_types.mod ewald_environment_types.mod pw_poisson_methods.mod bibliography.mod structure_factors.mod mathconstants.mod pw_methods.mod message_passing.mod kinds.mod pme_tools.mod base_hooks.mod dgs.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pme.F pme.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewalds.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewalds.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod ewald_pw_types.mod dg_types.mod dg_rho0_types.mod structure_factor_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod ewald_environment_types.mod bibliography.mod structure_factors.mod mathconstants.mod message_passing.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewalds.F ewalds.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pme.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_thermostats.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_subsys.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewalds.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'shg_integrals_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod generic_shg_integrals_init.mod base_hooks.mod orbital_transformation_matrices.mod constants_operator.mod generic_os_integrals.mod generic_shg_integrals.mod cp_log_handling.mod kinds.mod orbital_pointers.mod input_cp2k_subsys.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_integrals_test.F shg_integrals_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_thermostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' shg_integrals_test.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_motion_print.mod' due to: input_cp2k_motion_print.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod string_utilities.mod input_constants.mod input_cp2k_subsys.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewalds.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xwpbe.mod' due to: xc_xwpbe.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xwpbe.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod mathlib.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_methods.mod' due to: cell_methods.o /build/reproducible-path/cp2k-2023.1/src/cell_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_parser_types.mod cell_types.mod input_enumeration_types.mod cp_para_types.mod base_hooks.mod cp_units.mod cp_log_handling.mod cp_parser_methods.mod mathconstants.mod kinds.mod input_constants.mod mathlib.mod input_cp2k_subsys.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_pw_methods.mod' due to: ewald_pw_methods.o /build/reproducible-path/cp2k-2023.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod input_section_types.mod pw_poisson_types.mod ewald_pw_types.mod dg_types.mod dg_rho0_types.mod pw_grid_types.mod ewald_environment_types.mod pw_poisson_read_input.mod pw_grids.mod dgs.mod kinds.mod pw_poisson_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_ana.mod' due to: semi_empirical_int_ana.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 multipole_types.mod taper_types.mod semi_empirical_types.mod base_hooks.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod kinds.mod input_constants.mod physcon.mod semi_empirical_int_arrays.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_thermostats.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod input_cp2k_subsys.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'shg_integrals_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod generic_os_integrals.mod input_cp2k_subsys.mod orbital_transformation_matrices.mod generic_shg_integrals.mod orbital_pointers.mod cp_log_handling.mod constants_operator.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/shg_integrals_test.F shg_integrals_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_thermostats.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' shg_integrals_test.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_pw_methods.mod' due to: ewald_pw_methods.o /build/reproducible-path/cp2k-2023.1/src/ewald_pw_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_pw_types.mod pw_grid_types.mod dg_types.mod ewald_environment_types.mod input_section_types.mod pw_poisson_methods.mod base_hooks.mod pw_grids.mod pw_poisson_read_input.mod dgs.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_loc.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_motion_print.mod string_utilities.mod input_cp2k_mm.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_loc.F input_cp2k_loc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod input_section_types.mod particle_types.mod cell_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod base_hooks.mod pw_grids.mod cp_log_handling.mod mathconstants.mod kinds.mod cp_ddapc_methods.mod ewald_spline_util.mod cell_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_types.F cp_ddapc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_loc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_xtl.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_xtl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cell_types.mod topology_types.mod cp_para_types.mod base_hooks.mod cp_units.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod memory_utilities.mod cell_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_xtl.F topology_xtl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_cif.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_cif.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cell_types.mod topology_types.mod cp_para_types.mod base_hooks.mod string_utilities.mod string_table.mod memory_utilities.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod fparser.mod cell_methods.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_cif.F topology_cif.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_xtl.F90 /build/reproducible-path/cp2k-2023.1/src/pme.F:227:11: 227 | DO @@ -48735,52 +48794,29 @@ 132 | TYPE(realspace_grid_type), POINTER :: rden, rpot | ^ note: 'rpot' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_motion_print.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_cp2k_subsys.mod string_utilities.mod input_constants.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/cell_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod cell_types.mod input_keyword_types.mod input_section_types.mod cp_para_types.mod input_cp2k_subsys.mod mathlib.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cell_methods.F cell_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_int_ana.mod' due to: semi_empirical_int_ana.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_int_ana.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod multipole_types.mod taper_types.mod semi_empirical_int_arrays.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod semi_empirical_int_utils.mod semi_empirical_int_num.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_motion_print.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewalds.mod' due to: ewalds.o /build/reproducible-path/cp2k-2023.1/src/ewalds.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod ewald_environment_types.mod atomic_kind_types.mod shell_potential_types.mod ewald_pw_types.mod pw_pool_types.mod dg_types.mod pw_grid_types.mod distribution_1d_types.mod cell_types.mod structure_factor_types.mod particle_types.mod dg_rho0_types.mod bibliography.mod kinds.mod mathconstants.mod structure_factors.mod message_passing.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_cif.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_thermostats.mod' due to: input_cp2k_thermostats.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod base_hooks.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_subsys.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_thermostats.mod' due to: input_cp2k_thermostats.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_thermostats.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod input_cp2k_subsys.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_loc.mod' due to: input_cp2k_loc.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_motion_print.mod string_utilities.mod input_cp2k_mm.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_neb.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod input_cp2k_thermostats.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_neb.F input_cp2k_neb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_motion_print.mod' due to: input_cp2k_motion_print.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_motion_print.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_cp2k_subsys.mod string_utilities.mod input_constants.mod base_hooks.mod cp_output_handling.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_neb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_loc.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_cp2k_mm.mod input_constants.mod input_cp2k_motion_print.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_loc.F input_cp2k_loc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_loc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'spme.mod' due to: spme.o /build/reproducible-path/cp2k-2023.1/src/spme.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod atomic_kind_types.mod shell_potential_types.mod ewald_pw_types.mod pw_pool_types.mod pw_grid_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod bibliography.mod pw_methods.mod kinds.mod pw_grids.mod mathconstants.mod pw_poisson_methods.mod message_passing.mod dgs.mod pme_tools.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc_types.mod' due to: cp_ddapc_types.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_poisson_types.mod input_section_types.mod particle_types.mod cell_types.mod pw_grid_types.mod pw_types.mod cp_para_types.mod base_hooks.mod pw_grids.mod cp_log_handling.mod mathconstants.mod kinds.mod cp_ddapc_methods.mod ewald_spline_util.mod cell_methods.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_methods.mod' due to: cell_methods.o /build/reproducible-path/cp2k-2023.1/src/cell_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod cell_types.mod input_keyword_types.mod input_section_types.mod cp_para_types.mod input_cp2k_subsys.mod mathlib.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_xtl.mod' due to: topology_xtl.o /build/reproducible-path/cp2k-2023.1/src/topology_xtl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cell_types.mod topology_types.mod cp_para_types.mod base_hooks.mod cp_units.mod string_table.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod memory_utilities.mod cell_methods.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_methods_tb.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_para_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod pw_pool_types.mod pw_grid_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod spme.mod kinds.mod pw_grids.mod mathconstants.mod pw_poisson_methods.mod message_passing.mod virial_methods.mod dgs.mod pme_tools.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F ewald_methods_tb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_xtl.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_xtl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod cell_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_xtl.F topology_xtl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_methods_tb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_cif.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_cif.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod string_utilities.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod cell_methods.mod fparser.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_cif.F topology_cif.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_xtl.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pme.mod' due to: pme.o /build/reproducible-path/cp2k-2023.1/src/pme.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod atomic_kind_types.mod shell_potential_types.mod ewald_pw_types.mod pw_pool_types.mod dg_types.mod pw_grid_types.mod cell_types.mod structure_factor_types.mod particle_types.mod realspace_grid_types.mod pw_types.mod dg_rho0_types.mod bibliography.mod pw_methods.mod kinds.mod mathconstants.mod pw_poisson_methods.mod structure_factors.mod message_passing.mod dgs.mod pme_tools.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewalds.mod' due to: ewalds.o /build/reproducible-path/cp2k-2023.1/src/ewalds.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod distribution_1d_types.mod ewald_pw_types.mod dg_types.mod dg_rho0_types.mod structure_factor_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod ewald_environment_types.mod bibliography.mod structure_factors.mod mathconstants.mod message_passing.mod kinds.mod base_hooks.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_cif.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod cell_types.mod input_section_types.mod particle_types.mod pw_poisson_types.mod pw_pool_types.mod pw_grid_types.mod cp_para_types.mod ewald_spline_util.mod cp_ddapc_methods.mod pw_grids.mod mathconstants.mod cp_log_handling.mod kinds.mod cp_output_handling.mod cell_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_types.F cp_ddapc_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_neb.mod' due to: input_cp2k_neb.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod kinds.mod input_cp2k_thermostats.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_neb.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_neb.F input_cp2k_neb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_neb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_hfx.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_cp2k_loc.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_cif.mod' due to: topology_cif.o /build/reproducible-path/cp2k-2023.1/src/topology_cif.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cell_types.mod topology_types.mod cp_para_types.mod base_hooks.mod string_utilities.mod string_table.mod memory_utilities.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod fparser.mod cell_methods.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'shg_integrals_test.mod' due to: shg_integrals_test.o /build/reproducible-path/cp2k-2023.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod generic_os_integrals.mod input_cp2k_subsys.mod orbital_transformation_matrices.mod generic_shg_integrals.mod orbital_pointers.mod cp_log_handling.mod constants_operator.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'spme.mod' due to: spme.o /build/reproducible-path/cp2k-2023.1/src/spme.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod realspace_grid_types.mod ewald_pw_types.mod pw_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod atprop_types.mod ewald_environment_types.mod pw_poisson_methods.mod bibliography.mod mathconstants.mod pw_methods.mod message_passing.mod kinds.mod pw_grids.mod pme_tools.mod base_hooks.mod dgs.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_loc.mod' due to: input_cp2k_loc.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_loc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_cp2k_mm.mod input_constants.mod input_cp2k_motion_print.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_hfx.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pme.mod' due to: pme.o /build/reproducible-path/cp2k-2023.1/src/pme.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod realspace_grid_types.mod ewald_pw_types.mod pw_types.mod dg_types.mod dg_rho0_types.mod structure_factor_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod atprop_types.mod ewald_environment_types.mod pw_poisson_methods.mod bibliography.mod structure_factors.mod mathconstants.mod pw_methods.mod message_passing.mod kinds.mod pme_tools.mod base_hooks.mod dgs.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_hfx.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_cp2k_loc.mod bibliography.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90 /build/reproducible-path/cp2k-2023.1/src/ewalds_multipole.F:481:39: 481 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_GAUSS", damping=False, store_energy=True, store_forces=True) @@ -48811,26 +48847,14 @@ 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & | ^ note: 'ch_i' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_hfx.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_xtl.mod' due to: topology_xtl.o /build/reproducible-path/cp2k-2023.1/src/topology_xtl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod cell_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F:404:58: - - 404 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) - | ^ -Warning: 'dfr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F:375:63: - - 375 | REAL(KIND=dp) :: dfr, dr, fr, pfr, rij(3) - | ^ -note: 'dfr' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_cif.mod' due to: topology_cif.o /build/reproducible-path/cp2k-2023.1/src/topology_cif.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cell_types.mod input_section_types.mod topology_types.mod cp_para_types.mod string_table.mod string_utilities.mod cp_parser_methods.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod cell_methods.mod fparser.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc_types.mod' due to: cp_ddapc_types.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod cell_types.mod input_section_types.mod particle_types.mod pw_poisson_types.mod pw_pool_types.mod pw_grid_types.mod cp_para_types.mod ewald_spline_util.mod cp_ddapc_methods.mod pw_grids.mod mathconstants.mod cp_log_handling.mod kinds.mod cp_output_handling.mod cell_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ewald_methods_tb.o' due to: /build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod realspace_grid_types.mod ewald_pw_types.mod pw_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod atprop_types.mod ewald_environment_types.mod pw_poisson_methods.mod virial_methods.mod spme.mod mathconstants.mod pw_methods.mod message_passing.mod kinds.mod pw_grids.mod pme_tools.mod base_hooks.mod dgs.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F ewald_methods_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ewald_methods_tb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'shg_integrals_test.mod' due to: shg_integrals_test.o /build/reproducible-path/cp2k-2023.1/src/shg_integrals_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_keyword_types.mod input_section_types.mod input_val_types.mod generic_shg_integrals_init.mod base_hooks.mod orbital_transformation_matrices.mod constants_operator.mod generic_os_integrals.mod generic_shg_integrals.mod cp_log_handling.mod kinds.mod orbital_pointers.mod input_cp2k_subsys.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_methods_tb.mod' due to: ewald_methods_tb.o /build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_para_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod pw_pool_types.mod pw_grid_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod spme.mod kinds.mod pw_grids.mod mathconstants.mod pw_poisson_methods.mod message_passing.mod virial_methods.mod dgs.mod pme_tools.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_neb.mod' due to: input_cp2k_neb.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_neb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_hfx.mod' due to: input_cp2k_hfx.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_cp2k_loc.mod bibliography.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_hfx.mod' due to: input_cp2k_hfx.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_hfx.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_cp2k_loc.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F:4611:54: @@ -55172,6 +55196,18 @@ 3045 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t1000, t1002, & | ^ note: 't10' was declared here +/build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F:404:58: + + 404 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) + | ^ +Warning: 'dfr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F:375:63: + + 375 | REAL(KIND=dp) :: dfr, dr, fr, pfr, rij(3) + | ^ +note: 'dfr' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewald_methods_tb.mod' due to: ewald_methods_tb.o /build/reproducible-path/cp2k-2023.1/src/ewald_methods_tb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod realspace_grid_types.mod ewald_pw_types.mod pw_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod atprop_types.mod ewald_environment_types.mod pw_poisson_methods.mod virial_methods.mod spme.mod mathconstants.mod pw_methods.mod message_passing.mod kinds.mod pw_grids.mod pme_tools.mod base_hooks.mod dgs.mod +true /build/reproducible-path/cp2k-2023.1/src/ewalds_multipole.F:600:39: 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) @@ -55202,54 +55238,75 @@ 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & | ^ note: 'ch_i' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewalds_multipole.mod' due to: ewalds_multipole.o /build/reproducible-path/cp2k-2023.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod parallel_rng_types.mod ewald_environment_types.mod atomic_kind_types.mod fist_neighbor_list_types.mod input_section_types.mod ewald_pw_types.mod dg_types.mod pw_pool_types.mod pw_grid_types.mod distribution_1d_types.mod cell_types.mod structure_factor_types.mod particle_types.mod dg_rho0_types.mod damping_dipole_types.mod bibliography.mod cp_log_handling.mod kinds.mod mathconstants.mod structure_factors.mod message_passing.mod fist_neighbor_list_control.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ewalds_multipole.mod' due to: ewalds_multipole.o /build/reproducible-path/cp2k-2023.1/src/ewalds_multipole.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atomic_kind_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_neighbor_list_types.mod damping_dipole_types.mod dg_types.mod ewald_environment_types.mod dg_rho0_types.mod structure_factor_types.mod pw_pool_types.mod particle_types.mod cell_types.mod pw_grid_types.mod parallel_rng_types.mod input_section_types.mod bibliography.mod structure_factors.mod mathconstants.mod fist_neighbor_list_control.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_pol_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_energy_types.mod fist_nonbond_env_types.mod cell_types.mod input_section_types.mod multipole_types.mod particle_types.mod ewald_pw_types.mod pw_poisson_types.mod distribution_1d_types.mod ewald_environment_types.mod message_passing.mod cp_log_handling.mod input_constants.mod ewalds_multipole.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_pol_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod pw_poisson_types.mod particle_types.mod ewald_pw_types.mod atomic_kind_types.mod cell_types.mod multipole_types.mod distribution_1d_types.mod fist_energy_types.mod ewald_environment_types.mod input_section_types.mod base_hooks.mod message_passing.mod ewalds_multipole.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_pol_scf.F fist_pol_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_pol_scf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_parameters.mod' due to: semi_empirical_parameters.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod periodic_table.mod semi_empirical_par_utils.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_pol_scf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_parameters.mod' due to: semi_empirical_parameters.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_parameters.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod base_hooks.mod periodic_table.mod kinds.mod input_constants.mod physcon.mod semi_empirical_par_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod basis_set_types.mod cell_types.mod input_section_types.mod cp_control_types.mod semi_empirical_par_utils.mod input_constants.mod semi_empirical_parameters.mod semi_empirical_mpole_methods.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cell_types.mod semi_empirical_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod semi_empirical_par_utils.mod semi_empirical_parameters.mod semi_empirical_mpole_methods.mod kinds.mod input_constants.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_utils.F semi_empirical_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_utils.mod' due to: semi_empirical_utils.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod basis_set_types.mod cell_types.mod input_section_types.mod cp_control_types.mod semi_empirical_par_utils.mod input_constants.mod semi_empirical_parameters.mod semi_empirical_mpole_methods.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_utils.mod' due to: semi_empirical_utils.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cell_types.mod semi_empirical_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod semi_empirical_par_utils.mod semi_empirical_parameters.mod semi_empirical_mpole_methods.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xtb_types.mod qs_dispersion_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod atom_types.mod qs_dftb_types.mod input_section_types.mod paw_proj_set_types.mod semi_empirical_types.mod external_potential_types.mod basis_set_types.mod basis_set_container_types.mod atom_sgp.mod qs_dftb_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod string_utilities.mod periodic_table.mod input_constants.mod kinds.mod soft_basis_set.mod semi_empirical_utils.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod atom_upf.mod orbital_pointers.mod xtb_parameters.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod atomic_kind_types.mod cp_control_types.mod basis_set_types.mod external_potential_types.mod semi_empirical_types.mod qs_dftb_types.mod xtb_types.mod cp_para_types.mod paw_proj_set_types.mod atom_types.mod basis_set_container_types.mod input_section_types.mod xtb_parameters.mod atom_sgp.mod qs_harmonics_atom.mod string_utilities.mod atom_upf.mod mathconstants.mod qs_dftb_utils.mod semi_empirical_utils.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod soft_basis_set.mod cp_output_handling.mod base_hooks.mod periodic_table.mod qs_grid_atom.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kind_types.F qs_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kind_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_pol_scf.mod' due to: fist_pol_scf.o /build/reproducible-path/cp2k-2023.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_energy_types.mod fist_nonbond_env_types.mod cell_types.mod input_section_types.mod multipole_types.mod particle_types.mod ewald_pw_types.mod pw_poisson_types.mod distribution_1d_types.mod ewald_environment_types.mod message_passing.mod cp_log_handling.mod input_constants.mod ewalds_multipole.mod kinds.mod base_hooks.mod cp_output_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kind_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_pol_scf.mod' due to: fist_pol_scf.o /build/reproducible-path/cp2k-2023.1/src/fist_pol_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod pw_poisson_types.mod particle_types.mod ewald_pw_types.mod atomic_kind_types.mod cell_types.mod multipole_types.mod distribution_1d_types.mod fist_energy_types.mod ewald_environment_types.mod input_section_types.mod base_hooks.mod message_passing.mod ewalds_multipole.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbecke88_lr_adiabatic.mod' due to: xc_xbecke88_lr_adiabatic.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod bibliography.mod xc_derivative_desc.mod mathconstants.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_xbecke88_lr_adiabatic.mod' due to: xc_xbecke88_lr_adiabatic.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_derivatives.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod input_section_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_pbe.mod xc_b97.mod xc_perdew_zunger.mod xc_lyp.mod xc_xbecke_roussel.mod xc_xbecke88.mod xc_exchange_gga.mod xc_tpss.mod xc_pade.mod xc_xpbe_hole_t_c_lr.mod xc_xbecke88_long_range.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_lyp_adiabatic.mod kinds.mod xc_ke_gga.mod xc_cs1.mod xc_optx.mod xc_tfw.mod xc_perdew_wang.mod xc_xwpbe.mod xc_perdew86.mod xc_hcth.mod xc_xalpha.mod xc_libxc.mod xc_vwn.mod xc_xbeef.mod xc_thomas_fermi.mod xc_xbecke88_lr_adiabatic.mod base_hooks.mod xc_xlda_hole_t_c_lr.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_derivatives.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_rho_set_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_xpbe_hole_t_c_lr.mod xc_exchange_gga.mod xc_perdew_zunger.mod xc_thomas_fermi.mod xc_pbe.mod xc_tpss.mod xc_xbecke88.mod xc_optx.mod xc_cs1.mod xc_b97.mod xc_xbecke_roussel.mod xc_perdew_wang.mod xc_lyp_adiabatic.mod xc_xbecke88_long_range.mod xc_pade.mod xc_xbeef.mod xc_xwpbe.mod xc_tfw.mod xc_libxc.mod xc_xbecke88_lr_adiabatic.mod xc_xlda_hole_t_c_lr.mod kinds.mod xc_xalpha.mod xc_vwn.mod base_hooks.mod xc_ke_gga.mod xc_perdew86.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_lyp.mod xc_hcth.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivatives.F xc_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_derivatives.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kind_types.mod' due to: qs_kind_types.o /build/reproducible-path/cp2k-2023.1/src/qs_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xtb_types.mod qs_dispersion_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod atom_types.mod qs_dftb_types.mod input_section_types.mod paw_proj_set_types.mod semi_empirical_types.mod external_potential_types.mod basis_set_types.mod basis_set_container_types.mod atom_sgp.mod qs_dftb_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod string_utilities.mod periodic_table.mod input_constants.mod kinds.mod soft_basis_set.mod semi_empirical_utils.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod atom_upf.mod orbital_pointers.mod xtb_parameters.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_derivatives.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_derivatives.mod' due to: xc_derivatives.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_rho_set_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_xpbe_hole_t_c_lr.mod xc_exchange_gga.mod xc_perdew_zunger.mod xc_thomas_fermi.mod xc_pbe.mod xc_tpss.mod xc_xbecke88.mod xc_optx.mod xc_cs1.mod xc_b97.mod xc_xbecke_roussel.mod xc_perdew_wang.mod xc_lyp_adiabatic.mod xc_xbecke88_long_range.mod xc_pade.mod xc_xbeef.mod xc_xwpbe.mod xc_tfw.mod xc_libxc.mod xc_xbecke88_lr_adiabatic.mod xc_xlda_hole_t_c_lr.mod kinds.mod xc_xalpha.mod xc_vwn.mod base_hooks.mod xc_ke_gga.mod xc_perdew86.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_lyp.mod xc_hcth.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'sap_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/sap_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_neighbor_list_types.mod qs_kind_types.mod ai_moments.mod ai_overlap.mod orbital_pointers.mod kinds.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/sap_kind_types.F sap_kind_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_integral_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_integral_utils.F qs_integral_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' sap_kind_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'particle_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/particle_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod mathlib.mod string_utilities.mod cp_units.mod input_constants.mod kinds.mod mathconstants.mod memory_utilities.mod util.mod qmmm_ff_fist.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/particle_methods.F particle_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_integral_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_subsys_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod qs_energy_types.mod virial_types.mod cp_result_types.mod atprop_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod multipole_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod colvar_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_rho_set_types.mod pw_types.mod input_section_types.mod pw_pool_types.mod xc_derivative_set_types.mod pw_grid_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod cp_linked_list_xc_deriv.mod cp_array_utils.mod xc_derivatives.mod pw_methods.mod message_passing.mod kahan_sum.mod cp_log_handling.mod kinds.mod base_hooks.mod xc_util.mod xc_input_constants.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc.F xc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_utils.mod periodic_table.mod xc_libxc.mod mathconstants.mod xc_derivatives.mod kinds.mod input_constants.mod physcon.mod cp_files.mod input_cp2k_check.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_output.F atom_output.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_write_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc_write_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod xc_libxc.mod xc_derivatives.mod kinds.mod input_constants.mod input_cp2k_check.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc_write_output.F xc_write_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_write_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_write_output.mod' due to: xc_write_output.o /build/reproducible-path/cp2k-2023.1/src/xc_write_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod xc_libxc.mod xc_derivatives.mod kinds.mod input_constants.mod input_cp2k_check.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kind_types.mod' due to: qs_kind_types.o /build/reproducible-path/cp2k-2023.1/src/qs_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod atomic_kind_types.mod cp_control_types.mod basis_set_types.mod external_potential_types.mod semi_empirical_types.mod qs_dftb_types.mod xtb_types.mod cp_para_types.mod paw_proj_set_types.mod atom_types.mod basis_set_container_types.mod input_section_types.mod xtb_parameters.mod atom_sgp.mod qs_harmonics_atom.mod string_utilities.mod atom_upf.mod mathconstants.mod qs_dftb_utils.mod semi_empirical_utils.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod soft_basis_set.mod cp_output_handling.mod base_hooks.mod periodic_table.mod qs_grid_atom.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_subsys_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod qs_force_types.mod multipole_types.mod distribution_1d_types.mod qs_energy_types.mod atomic_kind_list_types.mod qs_kind_types.mod virial_types.mod cp_result_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod atprop_types.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_subsys_types.F qs_subsys_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' particle_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_atomic_halo_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod cp_para_types.mod message_passing.mod string_utilities.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_subsys_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cp_fm_types.mod qs_rho_types.mod qs_loc_types.mod qs_rho_atom_types.mod realspace_grid_types.mod qs_kind_types.mod cp_fm_struct.mod qs_grid_atom.mod kinds.mod qs_harmonics_atom.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod realspace_grid_types.mod qs_loc_types.mod atomic_kind_types.mod qs_rho_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod cp_fm_struct.mod qs_grid_atom.mod kinds.mod qs_harmonics_atom.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_types.F qs_linres_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_halo_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_cdft_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_types.mod pw_env_types.mod cp_fm_types.mod qs_kind_types.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'particle_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/particle_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod basis_set_types.mod qs_kind_types.mod external_potential_types.mod particle_types.mod cell_types.mod input_section_types.mod memory_utilities.mod string_utilities.mod cp_units.mod qmmm_ff_fist.mod mathconstants.mod mathlib.mod util.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/particle_methods.F particle_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_integral_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod base_hooks.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_integral_utils.F qs_integral_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_subsys_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' particle_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'sap_kind_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/sap_kind_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_kind_types.mod external_potential_types.mod base_hooks.mod ai_moments.mod kinds.mod util.mod ai_overlap.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/sap_kind_types.F sap_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_integral_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_atomic_halo_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod message_passing.mod cp_log_handling.mod kinds.mod memory_utilities.mod util.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_cdft_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_cdft_types.mod qs_kind_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_types.F mixed_cdft_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_derivatives.mod' due to: xc_derivatives.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_derivatives.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod input_section_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_pbe.mod xc_b97.mod xc_perdew_zunger.mod xc_lyp.mod xc_xbecke_roussel.mod xc_xbecke88.mod xc_exchange_gga.mod xc_tpss.mod xc_pade.mod xc_xpbe_hole_t_c_lr.mod xc_xbecke88_long_range.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_lyp_adiabatic.mod kinds.mod xc_ke_gga.mod xc_cs1.mod xc_optx.mod xc_tfw.mod xc_perdew_wang.mod xc_xwpbe.mod xc_perdew86.mod xc_hcth.mod xc_xalpha.mod xc_libxc.mod xc_vwn.mod xc_xbeef.mod xc_thomas_fermi.mod xc_xbecke88_lr_adiabatic.mod base_hooks.mod xc_xlda_hole_t_c_lr.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_parameters.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_dftb_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod qs_dftb_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod string_utilities.mod cp_parser_methods.mod input_constants.mod kinds.mod mathconstants.mod message_passing.mod qmmm_ff_fist.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' sap_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_halo_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'distribution_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/distribution_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod distribution_1d_types.mod basis_set_types.mod qs_kind_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod parallel_rng_types.mod input_section_types.mod cp_array_utils.mod cp_min_heap.mod mathconstants.mod mathlib.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod machine.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/distribution_methods.F distribution_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_cdft_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'core_ppl.o' due to: /build/reproducible-path/cp2k-2023.1/src/core_ppl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod external_potential_types.mod base_hooks.mod virial_methods.mod ai_overlap_ppl.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/core_ppl.F core_ppl.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atomic_charges.o' due to: /build/reproducible-path/cp2k-2023.1/src/atomic_charges.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod qs_kind_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atomic_charges.F atomic_charges.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_interactions.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_interactions.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod external_potential_types.mod paw_proj_set_types.mod atomic_kind_types.mod qs_kind_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod string_utilities.mod cp_units.mod cp_log_handling.mod kinds.mod ao_util.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_interactions.F qs_interactions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' core_ppl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atomic_charges.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' distribution_methods.F90 /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_halo_types.F:169:38: 169 | SUBROUTINE fb_atomic_halo_associate(a, b) @@ -55265,12 +55322,7 @@ 688 | SUBROUTINE fb_atomic_halo_list_write(atomic_halos, para_env, fb_section) | ^ Warning: 'fb_atomic_halo_list_write' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_cdft_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'core_ppl.o' due to: /build/reproducible-path/cp2k-2023.1/src/core_ppl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod virial_types.mod particle_types.mod lri_environment_types.mod qs_neighbor_list_types.mod virial_methods.mod orbital_pointers.mod kinds.mod base_hooks.mod ai_overlap_ppl.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/core_ppl.F core_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_parameters.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atomic_charges.o' due to: /build/reproducible-path/cp2k-2023.1/src/atomic_charges.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod qs_kind_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atomic_charges.F atomic_charges.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_interactions.F90 /build/reproducible-path/cp2k-2023.1/src/qs_linres_types.F:1079:35: 1079 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) @@ -55281,21 +55333,19 @@ 1118 | SUBROUTINE get_jrho_atom(jrho1_atom_set, iatom, cjc_h, cjc_s, cjc_ii_h, cjc_ii_s, & | ^ Warning: 'get_jrho_atom' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' core_ppl.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_interactions.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_interactions.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod external_potential_types.mod input_section_types.mod paw_proj_set_types.mod cp_control_types.mod qs_kind_types.mod string_utilities.mod ao_util.mod cp_units.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_interactions.F qs_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atomic_charges.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'auto_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/auto_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod powell.mod bibliography.mod aux_basis_set.mod mathconstants.mod orbital_pointers.mod periodic_table.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/auto_basis.F auto_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_interactions.F90 /build/reproducible-path/cp2k-2023.1/src/atomic_charges.F:136:30: 136 | SUBROUTINE print_multipoles(particle_set, qs_kind_set, scr, charge, dipole, quadrupole) | ^ Warning: 'print_multipoles' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'distribution_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/distribution_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod atomic_kind_types.mod molecule_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod cp_log_handling.mod cp_min_heap.mod cp_output_handling.mod machine.mod mathlib.mod input_constants.mod kinds.mod cp_array_utils.mod mathconstants.mod cp_blacs_env.mod util.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/distribution_methods.F distribution_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' auto_basis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'auto_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/auto_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod base_hooks.mod periodic_table.mod mathconstants.mod kinds.mod powell.mod bibliography.mod orbital_pointers.mod aux_basis_set.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/auto_basis.F auto_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' auto_basis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'core_ae.o' due to: /build/reproducible-path/cp2k-2023.1/src/core_ae.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod external_potential_types.mod ai_verfc.mod base_hooks.mod virial_methods.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/core_ae.F core_ae.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_parameters.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod atomic_kind_types.mod cp_control_types.mod qs_kind_types.mod external_potential_types.mod qs_dftb_types.mod cp_para_types.mod input_section_types.mod cp_files.mod string_utilities.mod qmmm_ff_fist.mod cp_parser_methods.mod mathconstants.mod qs_dftb_utils.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' core_ae.F90 /build/reproducible-path/cp2k-2023.1/src/sap_kind_types.F:527:41: 527 | zetc(1) = alpha_ppnl(l) @@ -55398,29 +55448,35 @@ 286 | maxppnl, maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, & | ^ Warning: 'nprjc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'core_ae.o' due to: /build/reproducible-path/cp2k-2023.1/src/core_ae.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod virial_types.mod particle_types.mod qs_neighbor_list_types.mod qs_kind_types.mod virial_methods.mod orbital_pointers.mod ai_verfc.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/core_ae.F core_ae.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' distribution_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_expns3_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_expns3_types.mod cp_control_types.mod qs_kind_types.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_int3_utils.mod input_constants.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_parameters.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_expns3_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_expns3_types.mod semi_empirical_types.mod qs_kind_types.mod cp_control_types.mod base_hooks.mod semi_empirical_utils.mod semi_empirical_int3_utils.mod kinds.mod input_constants.mod semi_empirical_int_arrays.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' core_ae.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molden_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/molden_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod particle_types.mod qs_kind_types.mod cp_dbcsr_operations.mod orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod cp_log_handling.mod periodic_table.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molden_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/molden_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod particle_types.mod atomic_kind_types.mod qs_kind_types.mod cp_fm_types.mod qs_mo_types.mod base_hooks.mod orbital_transformation_matrices.mod periodic_table.mod cp_log_handling.mod mathconstants.mod kinds.mod input_constants.mod physcon.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/molden_utils.F molden_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_coulomb_2c.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod atomic_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod generic_shg_integrals.mod mathconstants.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molden_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_coulomb_2c.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod kpoint_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod generic_shg_integrals_init.mod base_hooks.mod generic_shg_integrals.mod mathconstants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molden_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_coulomb_2c.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_integral_utils.mod' due to: qs_integral_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_subsys_types.mod' due to: qs_subsys_types.o /build/reproducible-path/cp2k-2023.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod qs_force_types.mod multipole_types.mod distribution_1d_types.mod qs_energy_types.mod atomic_kind_list_types.mod qs_kind_types.mod virial_types.mod cp_result_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod atprop_types.mod base_hooks.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_coulomb_2c.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'particle_methods.mod' due to: particle_methods.o /build/reproducible-path/cp2k-2023.1/src/particle_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod basis_set_types.mod qs_kind_types.mod external_potential_types.mod particle_types.mod cell_types.mod input_section_types.mod memory_utilities.mod string_utilities.mod cp_units.mod qmmm_ff_fist.mod mathconstants.mod mathlib.mod util.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_integral_utils.mod' due to: qs_integral_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_integral_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod base_hooks.mod orbital_pointers.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_atomic_halo_types.mod' due to: qs_fb_atomic_halo_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod message_passing.mod cp_log_handling.mod kinds.mod memory_utilities.mod util.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_cdft_types.mod' due to: mixed_cdft_types.o /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_cdft_types.mod qs_kind_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pwdft_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qs_subsys_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pwdft_environment_types.F pwdft_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pwdft_environment_types.F90 /build/reproducible-path/cp2k-2023.1/src/molden_utils.F:82:67: 82 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix | ^ Warning: 'cmatrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'particle_methods.mod' due to: particle_methods.o /build/reproducible-path/cp2k-2023.1/src/particle_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod shell_potential_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod mathlib.mod string_utilities.mod cp_units.mod input_constants.mod kinds.mod mathconstants.mod memory_utilities.mod util.mod qmmm_ff_fist.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_subsys_types.mod' due to: qs_subsys_types.o /build/reproducible-path/cp2k-2023.1/src/qs_subsys_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod qs_energy_types.mod virial_types.mod cp_result_types.mod atprop_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod multipole_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod colvar_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_output.mod' due to: atom_output.o /build/reproducible-path/cp2k-2023.1/src/atom_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_utils.mod periodic_table.mod xc_libxc.mod mathconstants.mod xc_derivatives.mod kinds.mod input_constants.mod physcon.mod cp_files.mod input_cp2k_check.mod true /build/reproducible-path/cp2k-2023.1/src/kpoint_coulomb_2c.F:200:35: @@ -55492,34 +55548,8 @@ 134 | j_y_outer, k_z, k_z_inner, k_z_outer, nkp, x_max, x_min, y_max, y_min, z_max, z_min | ^ note: 'x_max' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_atomic_halo_types.mod' due to: qs_fb_atomic_halo_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_halo_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod cp_para_types.mod message_passing.mod string_utilities.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_cdft_types.mod' due to: mixed_cdft_types.o /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_types.mod pw_env_types.mod cp_fm_types.mod qs_kind_types.mod cp_log_handling.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_array_utils.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pwdft_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod qs_subsys_types.mod cp_para_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pwdft_environment_types.F pwdft_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod pw_types.mod xc_util.mod xc_input_constants.mod cp_log_handling.mod pw_methods.mod xc_derivatives.mod kinds.mod cp_array_utils.mod cp_linked_list_xc_deriv.mod message_passing.mod kahan_sum.mod xc_derivative_desc.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc.F xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pwdft_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod xc_derivatives.mod mathconstants.mod periodic_table.mod input_constants.mod physcon.mod atom_utils.mod kinds.mod base_hooks.mod xc_libxc.mod input_cp2k_check.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_output.F atom_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_output.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_write_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc_write_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod xc_derivatives.mod input_constants.mod kinds.mod base_hooks.mod xc_libxc.mod input_cp2k_check.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc_write_output.F xc_write_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_write_output.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atomic_charges.mod' due to: atomic_charges.o /build/reproducible-path/cp2k-2023.1/src/atomic_charges.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod particle_types.mod qs_kind_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_interactions.mod' due to: qs_interactions.o /build/reproducible-path/cp2k-2023.1/src/qs_interactions.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod external_potential_types.mod input_section_types.mod paw_proj_set_types.mod cp_control_types.mod qs_kind_types.mod string_utilities.mod ao_util.mod cp_units.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_expns3_methods.mod' due to: semi_empirical_expns3_methods.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_expns3_types.mod cp_control_types.mod qs_kind_types.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_int3_utils.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atomic_charges.mod' due to: atomic_charges.o /build/reproducible-path/cp2k-2023.1/src/atomic_charges.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod qs_kind_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molden_utils.mod' due to: molden_utils.o /build/reproducible-path/cp2k-2023.1/src/molden_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod particle_types.mod qs_kind_types.mod cp_dbcsr_operations.mod orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod cp_log_handling.mod periodic_table.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'commutator_rkinetic.o' due to: /build/reproducible-path/cp2k-2023.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod qs_kind_types.mod qs_integral_utils.mod orbital_pointers.mod ai_kinetic.mod kinds.mod base_hooks.mod ai_contraction.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/commutator_rkinetic.F commutator_rkinetic.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_atomic_matrix_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod qs_fb_matrix_data_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90 /build/reproducible-path/cp2k-2023.1/src/auto_basis.F:161:41: 161 | ls2(2) = MIN(2*lval, laux) @@ -55530,37 +55560,47 @@ 66 | INTEGER :: i, j, jj, l, laux, linc, lmax, lval, lx, & | ^ note: 'laux' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' commutator_rkinetic.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_coulomb_2c.mod' due to: kpoint_coulomb_2c.o /build/reproducible-path/cp2k-2023.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod atomic_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod generic_shg_integrals.mod mathconstants.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_interactions.mod' due to: qs_interactions.o /build/reproducible-path/cp2k-2023.1/src/qs_interactions.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod external_potential_types.mod paw_proj_set_types.mod atomic_kind_types.mod qs_kind_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod string_utilities.mod cp_units.mod cp_log_handling.mod kinds.mod ao_util.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_expns3_methods.mod' due to: semi_empirical_expns3_methods.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_expns3_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_expns3_types.mod semi_empirical_types.mod qs_kind_types.mod cp_control_types.mod base_hooks.mod semi_empirical_utils.mod semi_empirical_int3_utils.mod kinds.mod input_constants.mod semi_empirical_int_arrays.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_matrix_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_vectors.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_vectors.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'commutator_rkinetic.o' due to: /build/reproducible-path/cp2k-2023.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod qs_kind_types.mod base_hooks.mod ai_contraction.mod ai_kinetic.mod kinds.mod orbital_pointers.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/commutator_rkinetic.F commutator_rkinetic.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_atomic_matrix_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod qs_fb_com_tasks_types.mod base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' commutator_rkinetic.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_vectors.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_vectors.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_vectors.F negf_vectors.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_atom_map.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_atom_map.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod particle_types.mod qs_subsys_types.mod qs_kind_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_matrix_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_atom_map.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_atom_map.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_atom_map.F negf_atom_map.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_vectors.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_mincrawl.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod particle_types.mod glbopt_history.mod swarm_message.mod cp_units.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod particle_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_vectors.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_mincrawl.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod cp_units.mod particle_methods.mod cp_log_handling.mod swarm_message.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod glbopt_history.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_mincrawl.F glbopt_mincrawl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_atom_map.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_mincrawl.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'sap_kind_types.mod' due to: sap_kind_types.o /build/reproducible-path/cp2k-2023.1/src/sap_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_neighbor_list_types.mod qs_kind_types.mod ai_moments.mod ai_overlap.mod orbital_pointers.mod kinds.mod util.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_atom_map.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_mincrawl.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod molecule_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod virial_types.mod cp_result_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod atprop_types.mod cp_dbcsr_operations.mod base_hooks.mod kpoint_transitional.mod cp_para_env.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_types.F qs_ks_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_types.mod' due to: qs_linres_types.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod realspace_grid_types.mod qs_loc_types.mod atomic_kind_types.mod qs_rho_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod cp_fm_struct.mod qs_grid_atom.mod kinds.mod qs_harmonics_atom.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_tensors_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod libint_wrapper.mod bibliography.mod qs_integral_utils.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod machine.mod cp_files.mod libint_2c_3c.mod mathlib.mod string_utilities.mod cp_units.mod input_constants.mod input_cp2k_hfx.mod t_c_g0.mod kinds.mod dbt_api.mod hfx_helpers.mod message_passing.mod orbital_pointers.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_control_types.mod basis_set_types.mod qs_loc_types.mod qs_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_tensors_types.mod input_section_types.mod input_cp2k_hfx.mod hfx_helpers.mod bibliography.mod cp_files.mod string_utilities.mod cp_units.mod libint_wrapper.mod mathlib.mod t_c_g0.mod dbt_api.mod message_passing.mod cp_log_handling.mod libint_2c_3c.mod kinds.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod particle_methods.mod machine.mod qs_integral_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_types.F hfx_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_result_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod cp_subsys_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod task_list_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod pw_types.mod kpoint_transitional.mod cp_dbcsr_operations.mod cp_blacs_env.mod cp_para_env.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_types.F qs_ks_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_atomic_halo_types.mod qs_fb_trial_fns_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_types.F qs_fb_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_types.mod' due to: qs_linres_types.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cp_fm_types.mod qs_rho_types.mod qs_loc_types.mod qs_rho_atom_types.mod realspace_grid_types.mod qs_kind_types.mod cp_fm_struct.mod qs_grid_atom.mod kinds.mod qs_harmonics_atom.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'sap_kind_types.mod' due to: sap_kind_types.o /build/reproducible-path/cp2k-2023.1/src/sap_kind_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_kind_types.mod external_potential_types.mod base_hooks.mod ai_moments.mod kinds.mod util.mod ai_overlap.mod orbital_pointers.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_cdft_types.mod molecule_list_types.mod qs_rho_types.mod cp_result_types.mod cp_para_types.mod atomic_kind_types.mod mixed_energy_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod cp_log_handling.mod kinds.mod cp_para_env.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_types.F qs_fb_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod distribution_1d_types.mod atomic_kind_list_types.mod cp_result_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod mixed_cdft_types.mod particle_types.mod cell_types.mod mixed_energy_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_environment_types.F mixed_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pwdft_environment_types.mod' due to: pwdft_environment_types.o /build/reproducible-path/cp2k-2023.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp_subsys_types.mod qs_subsys_types.mod cp_para_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pwdft_environment_types.mod' due to: pwdft_environment_types.o /build/reproducible-path/cp2k-2023.1/src/pwdft_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qs_subsys_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod kinds.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_oce_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod block_p_types.mod qs_neighbor_list_types.mod qs_kind_types.mod sap_kind_types.mod paw_proj_set_types.mod base_hooks.mod orbital_transformation_matrices.mod kinds.mod ao_util.mod ai_overlap.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_oce_methods.F qs_oce_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'commutator_rpnl.o' due to: /build/reproducible-path/cp2k-2023.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_neighbor_list_types.mod qs_kind_types.mod sap_kind_types.mod external_potential_types.mod base_hooks.mod ai_moments.mod kinds.mod ai_overlap.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/commutator_rpnl.F commutator_rpnl.F90 /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_types.F:97:27: 97 | SUBROUTINE fb_env_retain(fb_env) @@ -55576,54 +55616,66 @@ 207 | SUBROUTINE fb_env_init(fb_env) | ^ Warning: 'fb_env_init' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_oce_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod sap_kind_types.mod basis_set_types.mod particle_types.mod paw_proj_set_types.mod block_p_types.mod qs_kind_types.mod ao_util.mod ai_overlap.mod orbital_transformation_matrices.mod orbital_pointers.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_oce_methods.F qs_oce_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'commutator_rpnl.o' due to: /build/reproducible-path/cp2k-2023.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod sap_kind_types.mod basis_set_types.mod external_potential_types.mod cell_types.mod particle_types.mod block_p_types.mod qs_kind_types.mod ai_moments.mod ai_overlap.mod orbital_pointers.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/commutator_rpnl.F commutator_rpnl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_oce_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_write_output.mod' due to: xc_write_output.o /build/reproducible-path/cp2k-2023.1/src/xc_write_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod xc_derivatives.mod input_constants.mod kinds.mod base_hooks.mod xc_libxc.mod input_cp2k_check.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_parameters.mod' due to: qs_dftb_parameters.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_dftb_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod qs_dftb_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod string_utilities.mod cp_parser_methods.mod input_constants.mod kinds.mod mathconstants.mod message_passing.mod qmmm_ff_fist.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' commutator_rpnl.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mulliken.o' due to: /build/reproducible-path/cp2k-2023.1/src/mulliken.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod atomic_charges.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_oce_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mulliken.o' due to: /build/reproducible-path/cp2k-2023.1/src/mulliken.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qs_kind_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod atomic_charges.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mulliken.F mulliken.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mulliken.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'auto_basis.mod' due to: auto_basis.o /build/reproducible-path/cp2k-2023.1/src/auto_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod powell.mod bibliography.mod aux_basis_set.mod mathconstants.mod orbital_pointers.mod periodic_table.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' commutator_rpnl.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'auto_basis.mod' due to: auto_basis.o /build/reproducible-path/cp2k-2023.1/src/auto_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_kind_types.mod base_hooks.mod periodic_table.mod mathconstants.mod kinds.mod powell.mod bibliography.mod orbital_pointers.mod aux_basis_set.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'core_ppnl.o' due to: /build/reproducible-path/cp2k-2023.1/src/core_ppnl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod sap_kind_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod virial_types.mod particle_types.mod qs_neighbor_list_types.mod qs_kind_types.mod virial_methods.mod ai_overlap.mod orbital_pointers.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mulliken.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'core_ppnl.o' due to: /build/reproducible-path/cp2k-2023.1/src/core_ppnl.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod sap_kind_types.mod virial_types.mod external_potential_types.mod base_hooks.mod virial_methods.mod kinds.mod ai_overlap.mod orbital_pointers.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/core_ppnl.F core_ppnl.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'commutator_rkinetic.mod' due to: commutator_rkinetic.o /build/reproducible-path/cp2k-2023.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod qs_kind_types.mod qs_integral_utils.mod orbital_pointers.mod ai_kinetic.mod kinds.mod base_hooks.mod ai_contraction.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'core_ae.mod' due to: core_ae.o /build/reproducible-path/cp2k-2023.1/src/core_ae.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod external_potential_types.mod ai_verfc.mod base_hooks.mod virial_methods.mod kinds.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_atomic_matrix_methods.mod' due to: qs_fb_atomic_matrix_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod qs_fb_matrix_data_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_parameters.mod' due to: qs_dftb_parameters.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_parameters.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod atomic_kind_types.mod cp_control_types.mod qs_kind_types.mod external_potential_types.mod qs_dftb_types.mod cp_para_types.mod input_section_types.mod cp_files.mod string_utilities.mod qmmm_ff_fist.mod cp_parser_methods.mod mathconstants.mod qs_dftb_utils.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' core_ppnl.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_atom_map.mod' due to: negf_atom_map.o /build/reproducible-path/cp2k-2023.1/src/negf_atom_map.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod particle_types.mod qs_subsys_types.mod qs_kind_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' core_ppnl.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molden_utils.mod' due to: molden_utils.o /build/reproducible-path/cp2k-2023.1/src/molden_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod particle_types.mod atomic_kind_types.mod qs_kind_types.mod cp_fm_types.mod qs_mo_types.mod base_hooks.mod orbital_transformation_matrices.mod periodic_table.mod cp_log_handling.mod mathconstants.mod kinds.mod input_constants.mod physcon.mod cp_dbcsr_operations.mod orbital_pointers.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_vectors.mod' due to: negf_vectors.o /build/reproducible-path/cp2k-2023.1/src/negf_vectors.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'commutator_rkinetic.mod' due to: commutator_rkinetic.o /build/reproducible-path/cp2k-2023.1/src/commutator_rkinetic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_neighbor_list_types.mod qs_kind_types.mod base_hooks.mod ai_contraction.mod ai_kinetic.mod kinds.mod orbital_pointers.mod qs_integral_utils.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_atomic_matrix_methods.mod' due to: qs_fb_atomic_matrix_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_atomic_matrix_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod qs_fb_com_tasks_types.mod base_hooks.mod message_passing.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_coulomb_2c.mod' due to: kpoint_coulomb_2c.o /build/reproducible-path/cp2k-2023.1/src/kpoint_coulomb_2c.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod kpoint_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod generic_shg_integrals_init.mod base_hooks.mod generic_shg_integrals.mod mathconstants.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_vectors.mod' due to: negf_vectors.o /build/reproducible-path/cp2k-2023.1/src/negf_vectors.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_atom_map.mod' due to: negf_atom_map.o /build/reproducible-path/cp2k-2023.1/src/negf_atom_map.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_matrix_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod cp_fm_types.mod particle_types.mod negf_alloc_types.mod qs_subsys_types.mod cp_para_types.mod negf_atom_map.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod particle_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_matrix_utils.F negf_matrix_utils.F90 /build/reproducible-path/cp2k-2023.1/src/qs_oce_methods.F:81:34: 81 | maxnprja, maxsoa, msab, n, ncob, np_car, np_sph, nsatbas, nseta, nsetb, nsoatot, & | ^ Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_matrix_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_mincrawl.mod' due to: glbopt_mincrawl.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod particle_types.mod glbopt_history.mod swarm_message.mod cp_units.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod particle_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_mincrawl.mod' due to: glbopt_mincrawl.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_mincrawl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod cp_units.mod particle_methods.mod cp_log_handling.mod swarm_message.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod glbopt_history.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_types.mod' due to: qs_ks_types.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod molecule_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod virial_types.mod cp_result_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod atprop_types.mod cp_dbcsr_operations.mod base_hooks.mod kpoint_transitional.mod cp_para_env.mod cp_blacs_env.mod true /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_oce_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_oce_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 block_p_types.mod sap_kind_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_oce_types.F qs_oce_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_oce_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_types.mod' due to: qs_ks_types.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_result_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod cp_subsys_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod task_list_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod pw_types.mod kpoint_transitional.mod cp_dbcsr_operations.mod cp_blacs_env.mod cp_para_env.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_env_types.mod' due to: qs_fb_env_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_env_types.mod' due to: qs_fb_env_types.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_atomic_halo_types.mod qs_fb_trial_fns_types.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_oce_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_environment_types.mod' due to: mixed_environment_types.o /build/reproducible-path/cp2k-2023.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod distribution_1d_types.mod atomic_kind_list_types.mod cp_result_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod mixed_cdft_types.mod particle_types.mod cell_types.mod mixed_energy_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_environment_types.mod' due to: mixed_environment_types.o /build/reproducible-path/cp2k-2023.1/src/mixed_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_cdft_types.mod molecule_list_types.mod qs_rho_types.mod cp_result_types.mod cp_para_types.mod atomic_kind_types.mod mixed_energy_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod cp_log_handling.mod kinds.mod cp_para_env.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'distribution_methods.mod' due to: distribution_methods.o /build/reproducible-path/cp2k-2023.1/src/distribution_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod distribution_1d_types.mod basis_set_types.mod qs_kind_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod parallel_rng_types.mod input_section_types.mod cp_array_utils.mod cp_min_heap.mod mathconstants.mod mathlib.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod machine.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_cp2k_link.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod input_keyword_types.mod input_section_types.mod qs_ks_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_kind_types.mod string_utilities.mod cp_dbcsr_operations.mod ao_util.mod bibliography.mod orbital_pointers.mod qs_integral_utils.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'task_list_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/task_list_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_neighbor_list_types.mod realspace_grid_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod task_list_types.mod kpoint_types.mod particle_types.mod cell_types.mod cube_utils.mod memory_utilities.mod gaussian_gridlevels.mod grid_api.mod util.mod message_passing.mod offload_api.mod kinds.mod base_hooks.mod particle_methods.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/task_list_methods.F task_list_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_cp2k_link.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_keyword_types.mod qs_ks_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_kind_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod cp_dbcsr_operations.mod string_utilities.mod kinds.mod ao_util.mod bibliography.mod orbital_pointers.mod qs_integral_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cp2k_link.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' task_list_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_filter_matrix_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod particle_types.mod atomic_kind_types.mod qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod qs_fb_com_tasks_types.mod base_hooks.mod string_utilities.mod message_passing.mod qs_fb_atomic_matrix_methods.mod fermi_utils.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cp2k_link.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_matrix_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod negf_alloc_types.mod qs_kind_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod particle_methods.mod negf_atom_map.mod cp_fm_basic_linalg.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_matrix_utils.F negf_matrix_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_filter_matrix_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_oce_types.mod' due to: qs_oce_types.o /build/reproducible-path/cp2k-2023.1/src/qs_oce_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 block_p_types.mod sap_kind_types.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_matrix_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_density_mixing_types.mod preconditioner_types.mod qs_block_davidson_types.mod qs_ot_types.mod qs_diis_types.mod qs_fb_env_types.mod outer_scf_control_types.mod cp_fm_types.mod base_hooks.mod cp_fm_vect.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_types.F qs_scf_types.F90 /build/reproducible-path/cp2k-2023.1/src/qs_oce_methods.F:532:40: 532 | clist%nsgf_cnt = nsgf_cnt @@ -55634,27 +55686,12 @@ 351 | ncoa_sum, nkind, nlist, nneighbor, nsatbas, nseta, nsetb, nsgf_cnt, nsgfa, nsobtot, slot | ^ note: 'nsgf_cnt' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'task_list_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/task_list_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod pw_env_types.mod qs_ks_types.mod qs_neighbor_list_types.mod task_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod realspace_grid_types.mod particle_methods.mod cube_utils.mod ao_util.mod kinds.mod gaussian_gridlevels.mod offload_api.mod memory_utilities.mod util.mod grid_api.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/task_list_methods.F task_list_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_output.mod' due to: atom_output.o /build/reproducible-path/cp2k-2023.1/src/atom_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod xc_derivatives.mod mathconstants.mod periodic_table.mod input_constants.mod physcon.mod atom_utils.mod kinds.mod base_hooks.mod xc_libxc.mod input_cp2k_check.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mulliken.mod' due to: mulliken.o /build/reproducible-path/cp2k-2023.1/src/mulliken.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod atomic_charges.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'distribution_methods.mod' due to: distribution_methods.o /build/reproducible-path/cp2k-2023.1/src/distribution_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod atomic_kind_types.mod molecule_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod cp_log_handling.mod cp_min_heap.mod cp_output_handling.mod machine.mod mathlib.mod input_constants.mod kinds.mod cp_array_utils.mod mathconstants.mod cp_blacs_env.mod util.mod message_passing.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' task_list_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_filter_matrix_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod atomic_kind_types.mod qs_fb_matrix_data_types.mod particle_types.mod qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod message_passing.mod qs_fb_atomic_matrix_methods.mod string_utilities.mod fermi_utils.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_filter_matrix_methods.F90 /build/reproducible-path/cp2k-2023.1/src/qs_fb_filter_matrix_methods.F:1434:39: 1434 | SUBROUTINE fb_fltrmat_fermi_dirac_ne(f, eigenvals, T, ne, maxocc) | ^ Warning: 'fb_fltrmat_fermi_dirac_ne' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_oce_types.mod' due to: qs_oce_types.o /build/reproducible-path/cp2k-2023.1/src/qs_oce_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 block_p_types.mod sap_kind_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_block_davidson_types.mod qs_density_mixing_types.mod qs_fb_env_types.mod cp_fm_types.mod input_section_types.mod qs_ot_types.mod qs_diis_types.mod preconditioner_types.mod outer_scf_control_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_types.F qs_scf_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_types.F90 /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cp2k_link.F:485:13: 485 | IF (jatom /= last_jatom) THEN @@ -55665,25 +55702,12 @@ 455 | irow, jatom, last_jatom, nadd | ^ note: 'last_jatom' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_dm_types.mod qs_oce_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod cp_fm_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_kind_types.mod bibliography.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_types.F admm_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_cp2k_link.mod' due to: cp_dbcsr_cp2k_link.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod input_keyword_types.mod input_section_types.mod qs_ks_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_kind_types.mod string_utilities.mod cp_dbcsr_operations.mod ao_util.mod bibliography.mod orbital_pointers.mod qs_integral_utils.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'core_ae.mod' due to: core_ae.o /build/reproducible-path/cp2k-2023.1/src/core_ae.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod virial_types.mod particle_types.mod qs_neighbor_list_types.mod qs_kind_types.mod virial_methods.mod orbital_pointers.mod ai_verfc.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mulliken.mod' due to: mulliken.o /build/reproducible-path/cp2k-2023.1/src/mulliken.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qs_kind_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod atomic_charges.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_matrix_utils.mod' due to: negf_matrix_utils.o /build/reproducible-path/cp2k-2023.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod cp_fm_types.mod particle_types.mod negf_alloc_types.mod qs_subsys_types.mod cp_para_types.mod negf_atom_map.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod particle_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_lattice_summation.mod' due to: eri_mme_lattice_summation.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod ao_util.mod eri_mme_gaussian.mod orbital_pointers.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_global.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod timings.mod cp_fm_elpa.mod input_constants.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod kinds.mod cp_output_handling.mod base_hooks.mod grid_api.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_global.F input_cp2k_global.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_overlap.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_overlap.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_neighbor_list_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod qs_integral_utils.mod ai_contraction.mod particle_methods.mod string_utilities.mod cp_dbcsr_operations.mod kinds.mod ai_overlap.mod virial_methods.mod orbital_pointers.mod orbital_symbols.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_overlap.F qs_overlap.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_tnadd_mat.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod atomic_kind_types.mod basis_set_types.mod external_potential_types.mod virial_types.mod kg_environment_types.mod particle_types.mod qs_neighbor_list_types.mod cp_dbcsr_operations.mod orbital_pointers.mod virial_methods.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod particle_methods.mod ai_overlap_ppl.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_global.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_overlap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_tnadd_mat.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_fm_types.mod qs_oce_types.mod cp_control_types.mod qs_kind_types.mod task_list_types.mod qs_mo_types.mod admm_dm_types.mod cp_para_types.mod qs_local_rho_types.mod qs_rho_types.mod input_section_types.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_types.F admm_types.F90 /build/reproducible-path/cp2k-2023.1/src/core_ppnl.F:540:95: 540 | !$ iatom8 = INT(iatom - 1, int_8)*INT(natom, int_8) + INT(jatom, int_8) @@ -55694,41 +55718,88 @@ 110 | ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, maxsgf, na, natom, nb, & | ^ note: 'natom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_types.mod' due to: qs_scf_types.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_block_davidson_types.mod qs_density_mixing_types.mod qs_fb_env_types.mod cp_fm_types.mod input_section_types.mod qs_ot_types.mod qs_diis_types.mod preconditioner_types.mod outer_scf_control_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_types.mod' due to: qs_scf_types.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_density_mixing_types.mod preconditioner_types.mod qs_block_davidson_types.mod qs_ot_types.mod qs_diis_types.mod qs_fb_env_types.mod outer_scf_control_types.mod cp_fm_types.mod base_hooks.mod cp_fm_vect.mod kinds.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_oce_methods.mod' due to: qs_oce_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod sap_kind_types.mod basis_set_types.mod particle_types.mod paw_proj_set_types.mod block_p_types.mod qs_kind_types.mod ao_util.mod ai_overlap.mod orbital_transformation_matrices.mod orbital_pointers.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_cp2k_link.mod' due to: cp_dbcsr_cp2k_link.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_cp2k_link.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_keyword_types.mod qs_ks_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_kind_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod cp_dbcsr_operations.mod string_utilities.mod kinds.mod ao_util.mod bibliography.mod orbital_pointers.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_filter_matrix_methods.mod' due to: qs_fb_filter_matrix_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod atomic_kind_types.mod qs_fb_matrix_data_types.mod particle_types.mod qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod message_passing.mod qs_fb_atomic_matrix_methods.mod string_utilities.mod fermi_utils.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_matrix_utils.mod' due to: negf_matrix_utils.o /build/reproducible-path/cp2k-2023.1/src/negf_matrix_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod negf_alloc_types.mod qs_kind_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod particle_methods.mod negf_atom_map.mod cp_fm_basic_linalg.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_global.mod' due to: input_cp2k_global.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod timings.mod cp_fm_elpa.mod input_constants.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod kinds.mod cp_output_handling.mod base_hooks.mod grid_api.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_opt_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod cell_types.mod cp_para_types.mod input_keyword_types.mod input_section_types.mod mathlib.mod cp_units.mod cp_log_handling.mod mathconstants.mod input_constants.mod input_cp2k_global.mod kinds.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_opt_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_utils.F:146:47: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_error_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod mathconstants.mod eri_mme_lattice_summation.mod kinds.mod ao_util.mod eri_mme_gaussian.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_overlap.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_overlap.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod virial_types.mod kpoint_types.mod particle_types.mod cp_dbcsr_cp2k_link.mod ai_contraction.mod virial_methods.mod cp_dbcsr_operations.mod string_utilities.mod kinds.mod orbital_pointers.mod base_hooks.mod particle_methods.mod orbital_symbols.mod ai_overlap.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_overlap.F qs_overlap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_error_control.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_tnadd_mat.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod kg_environment_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod external_potential_types.mod base_hooks.mod particle_methods.mod cp_dbcsr_cp2k_link.mod virial_methods.mod ai_overlap_ppl.mod kinds.mod cp_dbcsr_operations.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_overlap.F90 +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F:357:40: - 146 | new_logger%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] + 357 | zet_c = zet_b - gr*(zet_b - zet_a) + | ^ +Warning: 'zet_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F:298:35: + + 298 | G_1, G_c, gr, zet_a, zet_b, zet_c, zet_d, zet_div, zet_max_tmp + | ^ +note: 'zet_b' declared here +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F:357:40: + + 357 | zet_c = zet_b - gr*(zet_b - zet_a) + | ^ +Warning: 'zet_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F:298:28: + + 298 | G_1, G_c, gr, zet_a, zet_b, zet_c, zet_d, zet_div, zet_max_tmp + | ^ +note: 'zet_a' declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_tnadd_mat.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_global.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod base_hooks.mod string_utilities.mod timings.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod kinds.mod input_constants.mod bibliography.mod cp_fm_elpa.mod grid_api.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_global.F input_cp2k_global.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_filter_matrix_methods.mod' due to: qs_fb_filter_matrix_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_filter_matrix_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod particle_types.mod atomic_kind_types.mod qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod qs_fb_com_tasks_types.mod base_hooks.mod string_utilities.mod message_passing.mod qs_fb_atomic_matrix_methods.mod fermi_utils.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_error_control.mod' due to: eri_mme_error_control.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod mathconstants.mod eri_mme_lattice_summation.mod kinds.mod ao_util.mod eri_mme_gaussian.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_global.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_oce_methods.mod' due to: qs_oce_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_oce_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod block_p_types.mod qs_neighbor_list_types.mod qs_kind_types.mod sap_kind_types.mod paw_proj_set_types.mod base_hooks.mod orbital_transformation_matrices.mod kinds.mod ao_util.mod ai_overlap.mod orbital_pointers.mod +true /build/reproducible-path/cp2k-2023.1/src/task_list_methods.F:2155:38: 2155 | tasks(indices(1))%pair_index = 1 | ^ Warning: 'MEM [(integer(kind=4)[0:] *)_295][0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_opt_utils.mod' due to: cell_opt_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod cell_types.mod cp_para_types.mod input_keyword_types.mod input_section_types.mod mathlib.mod cp_units.mod cp_log_handling.mod mathconstants.mod input_constants.mod input_cp2k_global.mod kinds.mod base_hooks.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_tnadd_mat.mod' due to: kg_tnadd_mat.o /build/reproducible-path/cp2k-2023.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod atomic_kind_types.mod basis_set_types.mod external_potential_types.mod virial_types.mod kg_environment_types.mod particle_types.mod qs_neighbor_list_types.mod cp_dbcsr_operations.mod orbital_pointers.mod virial_methods.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod particle_methods.mod ai_overlap_ppl.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod orbital_pointers.mod eri_mme_error_control.mod eri_mme_util.mod kinds.mod eri_mme_gaussian.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_types.F eri_mme_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'core_ppl.mod' due to: core_ppl.o /build/reproducible-path/cp2k-2023.1/src/core_ppl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod external_potential_types.mod base_hooks.mod virial_methods.mod ai_overlap_ppl.mod kinds.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_types.mod' due to: admm_types.o /build/reproducible-path/cp2k-2023.1/src/admm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_dm_types.mod qs_oce_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod cp_fm_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_kind_types.mod bibliography.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_types.mod' due to: eri_mme_types.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod orbital_pointers.mod eri_mme_error_control.mod eri_mme_util.mod kinds.mod eri_mme_gaussian.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_types.mod cp_dbcsr_operations.mod parallel_gemm_api.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_utils.F admm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_integrate.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod base_hooks.mod mathconstants.mod eri_mme_lattice_summation.mod kinds.mod ao_util.mod eri_mme_gaussian.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90 /build/reproducible-path/cp2k-2023.1/src/task_list_methods.F:1013:66: 1013 | ilocal, k, maxdest, Ncpu, Nflux | ^ Warning: 'ilocal' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_integrate.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_tnadd_mat.mod' due to: kg_tnadd_mat.o /build/reproducible-path/cp2k-2023.1/src/kg_tnadd_mat.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod kg_environment_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod external_potential_types.mod base_hooks.mod particle_methods.mod cp_dbcsr_cp2k_link.mod virial_methods.mod ai_overlap_ppl.mod kinds.mod cp_dbcsr_operations.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_types.mod' due to: admm_types.o /build/reproducible-path/cp2k-2023.1/src/admm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_fm_types.mod qs_oce_types.mod cp_control_types.mod qs_kind_types.mod task_list_types.mod qs_mo_types.mod admm_dm_types.mod cp_para_types.mod qs_local_rho_types.mod qs_rho_types.mod input_section_types.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_types.mod parallel_gemm_api.mod base_hooks.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_utils.F admm_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_global.mod' due to: input_cp2k_global.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_global.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod base_hooks.mod string_utilities.mod timings.mod cp_dbcsr_cp2k_link.mod cp_blacs_env.mod kinds.mod input_constants.mod bibliography.mod cp_fm_elpa.mod grid_api.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_opt_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_enumeration_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod input_cp2k_global.mod cp_units.mod cp_log_handling.mod mathconstants.mod kinds.mod input_constants.mod mathlib.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_opt_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_utils.F:146:47: + + 146 | new_logger%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2023.1/src/qs_overlap.F:313:46: 313 | !$OMP REDUCTION (+ : pv_thread, force_thread ) @@ -55749,13 +55820,66 @@ 194 | LOGICAL :: do_forces, do_symmetric, dokp, found, & | ^ note: 'dokp' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_utils.mod' due to: admm_utils.o /build/reproducible-path/cp2k-2023.1/src/admm_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_types.mod cp_dbcsr_operations.mod parallel_gemm_api.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_utils.mod' due to: admm_utils.o /build/reproducible-path/cp2k-2023.1/src/admm_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_types.mod parallel_gemm_api.mod base_hooks.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:718:39: + + 718 | /vol*mone_lb + | ^ +Warning: 's_g_0.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:332:65: + + 332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0 + | ^ +note: 's_g_0.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:718:39: + + 718 | /vol*mone_lb + | ^ +Warning: 's_g_0.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:332:65: + + 332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0 + | ^ +note: 's_g_0.offset' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_opt_utils.mod' due to: cell_opt_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_enumeration_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod input_cp2k_global.mod cp_units.mod cp_log_handling.mod mathconstants.mod kinds.mod input_constants.mod mathlib.mod cp_files.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_overlap.mod' due to: qs_overlap.o /build/reproducible-path/cp2k-2023.1/src/qs_overlap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_neighbor_list_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod qs_integral_utils.mod ai_contraction.mod particle_methods.mod string_utilities.mod cp_dbcsr_operations.mod kinds.mod ai_overlap.mod virial_methods.mod orbital_pointers.mod orbital_symbols.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:93:63: + + 93 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: S_G + | ^ +Warning: 's_g.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:93:63: Warning: 's_g.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_overlap.mod' due to: qs_overlap.o /build/reproducible-path/cp2k-2023.1/src/qs_overlap.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod virial_types.mod kpoint_types.mod particle_types.mod cp_dbcsr_cp2k_link.mod ai_contraction.mod virial_methods.mod cp_dbcsr_operations.mod string_utilities.mod kinds.mod orbital_pointers.mod base_hooks.mod particle_methods.mod orbital_symbols.mod ai_overlap.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kinetic.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kinetic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_neighbor_list_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod kpoint_types.mod qs_integral_utils.mod ai_contraction.mod cp_dbcsr_operations.mod qs_overlap.mod kinds.mod virial_methods.mod orbital_pointers.mod ai_kinetic.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kinetic.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kinetic.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod virial_types.mod kpoint_types.mod ai_contraction.mod virial_methods.mod cp_dbcsr_operations.mod qs_overlap.mod ai_kinetic.mod kinds.mod orbital_pointers.mod base_hooks.mod qs_integral_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kinetic.F qs_kinetic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kinetic.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_integrate.mod' due to: eri_mme_integrate.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod base_hooks.mod mathconstants.mod eri_mme_lattice_summation.mod kinds.mod ao_util.mod eri_mme_gaussian.mod orbital_pointers.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod base_hooks.mod orbital_pointers.mod message_passing.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod eri_mme_integrate.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F eri_mme_test.F90 +/build/reproducible-path/cp2k-2023.1/src/task_list_methods.F:400:46: + + 400 | task_list%npairs(igrid_level) = ipair + | ^ +Warning: 'igrid_level' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/task_list_methods.F:138:77: + + 138 | INTEGER :: cindex, curr_tasks, handle, i, iatom, iatom_old, igrid_level, igrid_level_old, & + | ^ +note: 'igrid_level' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_test.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'task_list_methods.mod' due to: task_list_methods.o /build/reproducible-path/cp2k-2023.1/src/task_list_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_neighbor_list_types.mod realspace_grid_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod task_list_types.mod kpoint_types.mod particle_types.mod cell_types.mod cube_utils.mod memory_utilities.mod gaussian_gridlevels.mod grid_api.mod util.mod message_passing.mod offload_api.mod kinds.mod base_hooks.mod particle_methods.mod ao_util.mod +true +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F:78:73: + + 78 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test + | ^ +Warning: 'i_ref.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/qs_kinetic.F:282:46: 282 | !$OMP REDUCTION (+ : pv_thread, force_thread ) @@ -55776,52 +55900,8 @@ 175 | LOGICAL :: do_forces, do_symmetric, dokp, found, & | ^ note: 'dokp' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'core_ppl.mod' due to: core_ppl.o /build/reproducible-path/cp2k-2023.1/src/core_ppl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod virial_types.mod particle_types.mod lri_environment_types.mod qs_neighbor_list_types.mod virial_methods.mod orbital_pointers.mod kinds.mod base_hooks.mod ai_overlap_ppl.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kinetic.mod' due to: qs_kinetic.o /build/reproducible-path/cp2k-2023.1/src/qs_kinetic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_neighbor_list_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod kpoint_types.mod qs_integral_utils.mod ai_contraction.mod cp_dbcsr_operations.mod qs_overlap.mod kinds.mod virial_methods.mod orbital_pointers.mod ai_kinetic.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/task_list_methods.F:400:46: - - 400 | task_list%npairs(igrid_level) = ipair - | ^ -Warning: 'igrid_level' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/task_list_methods.F:138:77: - - 138 | INTEGER :: cindex, curr_tasks, handle, i, iatom, iatom_old, igrid_level, igrid_level_old, & - | ^ -note: 'igrid_level' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'task_list_methods.mod' due to: task_list_methods.o /build/reproducible-path/cp2k-2023.1/src/task_list_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod pw_env_types.mod qs_ks_types.mod qs_neighbor_list_types.mod task_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod realspace_grid_types.mod particle_methods.mod cube_utils.mod ao_util.mod kinds.mod gaussian_gridlevels.mod offload_api.mod memory_utilities.mod util.mod grid_api.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kinetic.mod' due to: qs_kinetic.o /build/reproducible-path/cp2k-2023.1/src/qs_kinetic.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod virial_types.mod kpoint_types.mod ai_contraction.mod virial_methods.mod cp_dbcsr_operations.mod qs_overlap.mod ai_kinetic.mod kinds.mod orbital_pointers.mod base_hooks.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_lattice_summation.mod' due to: eri_mme_lattice_summation.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_lattice_summation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ao_util.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod eri_mme_gaussian.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_error_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod ao_util.mod mathconstants.mod eri_mme_lattice_summation.mod eri_mme_gaussian.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_error_control.F90 -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F:357:40: - - 357 | zet_c = zet_b - gr*(zet_b - zet_a) - | ^ -Warning: 'zet_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F:298:35: - - 298 | G_1, G_c, gr, zet_a, zet_b, zet_c, zet_d, zet_div, zet_max_tmp - | ^ -note: 'zet_b' declared here -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F:357:40: - - 357 | zet_c = zet_b - gr*(zet_b - zet_a) - | ^ -Warning: 'zet_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F:298:28: - - 298 | G_1, G_c, gr, zet_a, zet_b, zet_c, zet_d, zet_div, zet_max_tmp - | ^ -note: 'zet_a' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_error_control.mod' due to: eri_mme_error_control.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_error_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod ao_util.mod mathconstants.mod eri_mme_lattice_summation.mod eri_mme_gaussian.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod mathlib.mod eri_mme_error_control.mod orbital_pointers.mod eri_mme_util.mod kinds.mod base_hooks.mod eri_mme_gaussian.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_types.F eri_mme_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_types.F90 /build/reproducible-path/cp2k-2023.1/src/core_ppnl.F:365:44: 365 | zetc(1) = alpha_ppnl(l) @@ -55929,136 +56009,75 @@ 111 | ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, nsgfa, prjc, sgfa, slot | ^ note: 'nprjc' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_types.mod' due to: eri_mme_types.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod mathlib.mod eri_mme_error_control.mod orbital_pointers.mod eri_mme_util.mod kinds.mod base_hooks.mod eri_mme_gaussian.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_integrate.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod ao_util.mod orbital_pointers.mod mathconstants.mod eri_mme_lattice_summation.mod kinds.mod base_hooks.mod eri_mme_gaussian.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:34:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_integrate.F90 -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:718:39: - - 718 | /vol*mone_lb - | ^ -Warning: 's_g_0.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:332:65: - - 332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0 - | ^ -note: 's_g_0.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:718:39: - - 718 | /vol*mone_lb - | ^ -Warning: 's_g_0.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:332:65: - - 332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0 - | ^ -note: 's_g_0.offset' was declared here -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:93:63: - - 93 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: S_G - | ^ -Warning: 's_g.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F:93:63: Warning: 's_g.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_integrate.mod' due to: eri_mme_integrate.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_integrate.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod ao_util.mod orbital_pointers.mod mathconstants.mod eri_mme_lattice_summation.mod kinds.mod base_hooks.mod eri_mme_gaussian.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eri_mme_test.o' due to: /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod message_passing.mod orbital_pointers.mod mathconstants.mod kinds.mod eri_mme_integrate.mod base_hooks.mod eri_mme_gaussian.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F eri_mme_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/eri_mme/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eri_mme_test.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'core_ppnl.mod' due to: core_ppnl.o /build/reproducible-path/cp2k-2023.1/src/core_ppnl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod sap_kind_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod virial_types.mod particle_types.mod qs_neighbor_list_types.mod qs_kind_types.mod virial_methods.mod ai_overlap.mod orbital_pointers.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F:78:73: - - 78 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test - | ^ -Warning: 'i_ref.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F:78:73: Warning: 'i_ref.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_types.mod' due to: hfx_types.o /build/reproducible-path/cp2k-2023.1/src/hfx_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_tensors_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod libint_wrapper.mod bibliography.mod qs_integral_utils.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod machine.mod cp_files.mod libint_2c_3c.mod mathlib.mod string_utilities.mod cp_units.mod input_constants.mod input_cp2k_hfx.mod t_c_g0.mod kinds.mod dbt_api.mod hfx_helpers.mod message_passing.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_test.mod' due to: eri_mme_test.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod base_hooks.mod orbital_pointers.mod message_passing.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod eri_mme_integrate.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_compression_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod hfx_compression_core_methods.mod kinds.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_compression_methods.F hfx_compression_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_libint_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod hfx_types.mod libint_wrapper.mod orbital_pointers.mod gamma.mod mathconstants.mod input_constants.mod t_c_g0.mod kinds.mod base_hooks.mod hfx_contraction_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F hfx_libint_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_compression_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_im_time_force_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_dbcsr_operations.mod base_hooks.mod dbt_api.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_types.F rpa_im_time_force_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_libint_interface.F90 /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a' due to: eri_mme_util.o eri_mme_types.o eri_mme_test.o eri_mme_lattice_summation.o eri_mme_integrate.o eri_mme_gaussian.o eri_mme_error_control.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_im_time_force_types.F90 ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a eri_mme_util.o eri_mme_types.o eri_mme_test.o eri_mme_lattice_summation.o eri_mme_integrate.o eri_mme_gaussian.o eri_mme_error_control.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eri_mme_test.mod' due to: eri_mme_test.o /build/reproducible-path/cp2k-2023.1/src/eri_mme/eri_mme_test.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod message_passing.mod orbital_pointers.mod mathconstants.mod kinds.mod eri_mme_integrate.mod base_hooks.mod eri_mme_gaussian.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_eri_mme_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod qs_kind_types.mod basis_set_types.mod input_keyword_types.mod cell_types.mod input_section_types.mod input_val_types.mod cp_para_types.mod message_passing.mod string_utilities.mod orbital_pointers.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod eri_mme_test.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_eri_mme_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod input_keyword_types.mod cell_types.mod qs_kind_types.mod input_val_types.mod cp_para_types.mod eri_mme_types.mod base_hooks.mod orbital_pointers.mod string_utilities.mod message_passing.mod cp_log_handling.mod eri_mme_test.mod kinds.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_compression_methods.mod' due to: hfx_compression_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod hfx_compression_core_methods.mod kinds.mod base_hooks.mod cp_files.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_eri_mme_interface.F90 -/build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F:259:37: - - 259 | factor = factor*S1234*SQRT(tmp) - | ^ -Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F:92:71: - - 92 | REAL(KIND=dp) :: AB(3), AB2, CD(3), CD2, den, Eta, EtaInv, factor, G(3), num, omega2, & - | ^ -note: 'factor' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_store_int_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod hfx_types.mod memory_utilities.mod kinds.mod base_hooks.mod hfx_compression_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_store_int_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_store_int_types.mod' due to: semi_empirical_store_int_types.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod hfx_types.mod memory_utilities.mod kinds.mod base_hooks.mod hfx_compression_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_store_int_types.mod semi_empirical_int_ana.mod semi_empirical_int_gks.mod input_constants.mod memory_utilities.mod kinds.mod base_hooks.mod semi_empirical_int_num.mod hfx_compression_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_integrals.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_eri_mme_interface.mod' due to: cp_eri_mme_interface.o /build/reproducible-path/cp2k-2023.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod qs_kind_types.mod basis_set_types.mod input_keyword_types.mod cell_types.mod input_section_types.mod input_val_types.mod cp_para_types.mod message_passing.mod string_utilities.mod orbital_pointers.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod eri_mme_test.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_eri_mme_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_eri_mme_interface.mod' due to: cp_eri_mme_interface.o /build/reproducible-path/cp2k-2023.1/src/cp_eri_mme_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod input_keyword_types.mod cell_types.mod qs_kind_types.mod input_val_types.mod cp_para_types.mod eri_mme_types.mod base_hooks.mod orbital_pointers.mod string_utilities.mod message_passing.mod cp_log_handling.mod eri_mme_test.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_mp2.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod input_cp2k_kpoints.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod input_cp2k_hfx.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_eri_mme_interface.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_mp2.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_kpoints.mod string_utilities.mod cp_units.mod input_cp2k_hfx.mod cp_eri_mme_interface.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mp2.F input_cp2k_mp2.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_types_low.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_field_types.mod pw_grid_types.mod particle_types.mod ewald_pw_types.mod pw_pool_types.mod pw_types.mod qmmm_gaussian_types.mod ewald_environment_types.mod pw_grids.mod input_constants.mod kinds.mod base_hooks.mod cp_eri_mme_interface.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_types_low.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod particle_types.mod ewald_pw_types.mod pw_grid_types.mod qmmm_gaussian_types.mod pw_types.mod force_field_types.mod ewald_environment_types.mod base_hooks.mod cp_eri_mme_interface.mod kinds.mod input_constants.mod pw_grids.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_types_low.F qmmm_types_low.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_mp2.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_p_env_types.mod cp_fm_types.mod input_section_types.mod hfx_types.mod kpoint_types.mod message_passing.mod local_gemm_api.mod input_constants.mod kinds.mod base_hooks.mod cp_eri_mme_interface.mod libint_2c_3c.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_types.F mp2_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_types_low.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_qmmm.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_section_types.mod input_val_types.mod input_cp2k_subsys.mod pw_spline_utils.mod cp_spline_utils.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_mm.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_eri_mme_interface.mod input_cp2k_poisson.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_mp2.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_qmmm.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cell_types.mod input_val_types.mod base_hooks.mod pw_spline_utils.mod string_utilities.mod cp_units.mod input_cp2k_poisson.mod cp_spline_utils.mod input_cp2k_mm.mod cp_eri_mme_interface.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_subsys.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_qmmm.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_types_low.mod' due to: qmmm_types_low.o /build/reproducible-path/cp2k-2023.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_field_types.mod pw_grid_types.mod particle_types.mod ewald_pw_types.mod pw_pool_types.mod pw_types.mod qmmm_gaussian_types.mod ewald_environment_types.mod pw_grids.mod input_constants.mod kinds.mod base_hooks.mod cp_eri_mme_interface.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_types_low.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_qmmm.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_types_low.mod' due to: qmmm_types_low.o /build/reproducible-path/cp2k-2023.1/src/qmmm_types_low.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod particle_types.mod ewald_pw_types.mod pw_grid_types.mod qmmm_gaussian_types.mod pw_types.mod force_field_types.mod ewald_environment_types.mod base_hooks.mod cp_eri_mme_interface.mod kinds.mod input_constants.mod pw_grids.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_integrals.mod' due to: semi_empirical_integrals.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_store_int_types.mod semi_empirical_int_ana.mod semi_empirical_int_gks.mod input_constants.mod memory_utilities.mod kinds.mod base_hooks.mod semi_empirical_int_num.mod hfx_compression_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod qmmm_types_low.mod string_table.mod string_utilities.mod mm_mapping_library.mod cp_log_handling.mod periodic_table.mod graphcon.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod multipole_types.mod distribution_1d_types.mod atomic_kind_list_types.mod ewald_pw_types.mod fist_efield_types.mod cp_result_types.mod molecule_kind_types.mod exclusion_types.mod cp_para_types.mod qmmm_types_low.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod fist_energy_types.mod ewald_environment_types.mod input_section_types.mod base_hooks.mod cp_para_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_environment_types.F fist_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields_all.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields_all.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod shell_potential_types.mod force_field_kind_types.mod pair_potential_types.mod damping_dipole_types.mod external_potential_types.mod molecule_kind_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod splines_types.mod force_field_types.mod input_val_types.mod ewald_environment_types.mod input_section_types.mod cp_linked_list_input.mod input_cp2k_binary_restarts.mod memory_utilities.mod string_utilities.mod qmmm_ff_fist.mod mathconstants.mod pair_potential_coulomb.mod cp_log_handling.mod pair_potential.mod kinds.mod input_constants.mod physcon.mod atoms_input.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_fields_all.F force_fields_all.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 topology_types.mod qmmm_types_low.mod input_section_types.mod mm_mapping_library.mod base_hooks.mod string_utilities.mod periodic_table.mod string_table.mod cp_log_handling.mod graphcon.mod kinds.mod util.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_util.F topology_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_topology_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod topology_types.mod qmmm_types_low.mod molecule_kind_types.mod string_table.mod string_utilities.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_topology_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod topology_types.mod qmmm_types_low.mod input_section_types.mod base_hooks.mod string_utilities.mod string_table.mod cp_log_handling.mod kinds.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_topology_util.F qmmm_topology_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_elpot.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod mathconstants.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_elpot.F qmmm_elpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_topology_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_per_elpot.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod pw_poisson_types.mod ewald_pw_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod ewald_environment_types.mod cp_para_types.mod ewald_spline_util.mod ao_util.mod mathconstants.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_elpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields_all.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'core_ppnl.mod' due to: core_ppnl.o /build/reproducible-path/cp2k-2023.1/src/core_ppnl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod sap_kind_types.mod virial_types.mod external_potential_types.mod base_hooks.mod virial_methods.mod kinds.mod ai_overlap.mod orbital_pointers.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_topology_util.F90 /build/reproducible-path/cp2k-2023.1/src/topology_util.F:977:61: 977 | upper_sym_1 = id2str(atom_info%id_element(iatom)) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_links_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qmmm_types_low.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_per_elpot.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod ewald_environment_types.mod qmmm_types_low.mod ewald_pw_types.mod cell_types.mod qmmm_gaussian_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod mathconstants.mod kinds.mod ao_util.mod input_constants.mod ewald_spline_util.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_elpot.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod input_section_types.mod base_hooks.mod memory_utilities.mod cp_log_handling.mod mathconstants.mod kinds.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_elpot.F qmmm_elpot.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_pw_grid.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod pw_grid_types.mod qmmm_types_low.mod base_hooks.mod message_passing.mod kinds.mod input_constants.mod pw_grids.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_elpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_per_elpot.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_links_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qmmm_types_low.mod base_hooks.mod cp_log_handling.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_links_methods.F qmmm_links_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_per_elpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_links_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod fist_efield_types.mod fist_nonbond_env_types.mod cp_result_types.mod ewald_environment_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod fist_energy_types.mod molecule_types.mod cp_subsys_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod multipole_types.mod ewald_pw_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod cp_para_env.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_environment_types.F fist_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields_all.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields_all.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ewald_environment_types.mod splines_types.mod force_field_types.mod atomic_kind_types.mod molecule_types.mod pair_potential_types.mod qmmm_types_low.mod shell_potential_types.mod input_section_types.mod force_field_kind_types.mod molecule_kind_types.mod external_potential_types.mod cell_types.mod particle_types.mod input_val_types.mod damping_dipole_types.mod pair_potential.mod cp_linked_list_input.mod input_cp2k_binary_restarts.mod cp_log_handling.mod physcon.mod string_utilities.mod pair_potential_coulomb.mod input_constants.mod kinds.mod mathconstants.mod memory_utilities.mod atoms_input.mod qmmm_ff_fist.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_fields_all.F force_fields_all.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_pw_grid.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_types.mod' due to: hfx_types.o /build/reproducible-path/cp2k-2023.1/src/hfx_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_control_types.mod basis_set_types.mod qs_loc_types.mod qs_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_tensors_types.mod input_section_types.mod input_cp2k_hfx.mod hfx_helpers.mod bibliography.mod cp_files.mod string_utilities.mod cp_units.mod libint_wrapper.mod mathlib.mod t_c_g0.mod dbt_api.mod message_passing.mod cp_log_handling.mod libint_2c_3c.mod kinds.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod particle_methods.mod machine.mod qs_integral_utils.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_links_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_environment_types.mod' due to: fist_environment_types.o /build/reproducible-path/cp2k-2023.1/src/fist_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod multipole_types.mod distribution_1d_types.mod atomic_kind_list_types.mod ewald_pw_types.mod fist_efield_types.mod cp_result_types.mod molecule_kind_types.mod exclusion_types.mod cp_para_types.mod qmmm_types_low.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod fist_energy_types.mod ewald_environment_types.mod input_section_types.mod base_hooks.mod cp_para_env.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_topology_util.mod' due to: qmmm_topology_util.o /build/reproducible-path/cp2k-2023.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod topology_types.mod qmmm_types_low.mod input_section_types.mod base_hooks.mod string_utilities.mod string_table.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_libint_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod hfx_types.mod t_c_g0.mod base_hooks.mod mathconstants.mod libint_wrapper.mod hfx_contraction_methods.mod input_constants.mod gamma.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F hfx_libint_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_elpot.mod' due to: qmmm_elpot.o /build/reproducible-path/cp2k-2023.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod input_section_types.mod base_hooks.mod memory_utilities.mod cp_log_handling.mod mathconstants.mod kinds.mod input_constants.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_pw_grid.mod' due to: qmmm_pw_grid.o /build/reproducible-path/cp2k-2023.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod pw_grid_types.mod qmmm_types_low.mod base_hooks.mod message_passing.mod kinds.mod input_constants.mod pw_grids.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_libint_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_im_time_force_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod base_hooks.mod dbt_api.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_types.F rpa_im_time_force_types.F90 /build/reproducible-path/cp2k-2023.1/src/qmmm_per_elpot.F:186:54: 186 | LG(idim) = fs*LG(idim)*1.0_dp/Vol @@ -56069,83 +56088,38 @@ 100 | REAL(KIND=dp) :: Ak, alpha, box(3), Fac(3), fs, g, g2, & | ^ note: 'fs' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_pw_grid.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod pw_pool_types.mod qmmm_types_low.mod pw_grid_types.mod message_passing.mod pw_grids.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields_all.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_store_int_types.mod semi_empirical_int_arrays.mod kinds.mod base_hooks.mod semi_empirical_integrals.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_pw_grid.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_topology_util.mod' due to: qmmm_topology_util.o /build/reproducible-path/cp2k-2023.1/src/qmmm_topology_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod molecule_types.mod topology_types.mod qmmm_types_low.mod molecule_kind_types.mod string_table.mod string_utilities.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix_integrals.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_elpot.mod' due to: qmmm_elpot.o /build/reproducible-path/cp2k-2023.1/src/qmmm_elpot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod mathconstants.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_links_methods.mod' due to: qmmm_links_methods.o /build/reproducible-path/cp2k-2023.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qmmm_types_low.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_qmmm.mod' due to: input_cp2k_qmmm.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cell_types.mod input_val_types.mod base_hooks.mod pw_spline_utils.mod string_utilities.mod cp_units.mod input_cp2k_poisson.mod cp_spline_utils.mod input_cp2k_mm.mod cp_eri_mme_interface.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_subsys.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_qmmm.mod' due to: input_cp2k_qmmm.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_qmmm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod cell_types.mod input_section_types.mod input_val_types.mod input_cp2k_subsys.mod pw_spline_utils.mod cp_spline_utils.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_mm.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_eri_mme_interface.mod input_cp2k_poisson.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_types.mod' due to: mp2_types.o /build/reproducible-path/cp2k-2023.1/src/mp2_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_p_env_types.mod cp_fm_types.mod input_section_types.mod hfx_types.mod kpoint_types.mod message_passing.mod local_gemm_api.mod input_constants.mod kinds.mod base_hooks.mod cp_eri_mme_interface.mod libint_2c_3c.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_pair_list_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod mp2_types.mod hfx_types.mod particle_types.mod libint_wrapper.mod gamma.mod mathconstants.mod input_constants.mod t_c_g0.mod kinds.mod t_sh_p_s_c.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F hfx_pair_list_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_setup.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_setup.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod input_section_types.mod mathlib.mod cp_parser_methods.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_eri_mme_interface.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_setup.F mp2_setup.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_pair_list_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_per_elpot.mod' due to: qmmm_per_elpot.o /build/reproducible-path/cp2k-2023.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod pw_poisson_types.mod ewald_pw_types.mod qmmm_gaussian_types.mod qmmm_types_low.mod ewald_environment_types.mod cp_para_types.mod ewald_spline_util.mod ao_util.mod mathconstants.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_setup.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_grad_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod cp_fm_types.mod group_dist_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod parallel_gemm_api.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod util.mod base_hooks.mod libint_2c_3c.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_grad_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_mp2.mod' due to: input_cp2k_mp2.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod input_cp2k_kpoints.mod string_utilities.mod bibliography.mod cp_units.mod input_constants.mod input_cp2k_hfx.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_eri_mme_interface.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_im_time_force_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_force_types.mod hfx_types.mod qs_p_env_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod cp_eri_mme_interface.mod libint_2c_3c.mod local_gemm_api.mod input_constants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_types.F mp2_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_compression_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod base_hooks.mod hfx_compression_core_methods.mod kinds.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_compression_methods.F hfx_compression_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_mp2.mod' due to: input_cp2k_mp2.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_mp2.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_kpoints.mod string_utilities.mod cp_units.mod input_cp2k_hfx.mod cp_eri_mme_interface.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_environment_types.mod' due to: fist_environment_types.o /build/reproducible-path/cp2k-2023.1/src/fist_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod fist_efield_types.mod fist_nonbond_env_types.mod cp_result_types.mod ewald_environment_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod fist_energy_types.mod molecule_types.mod cp_subsys_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod multipole_types.mod ewald_pw_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod cp_para_env.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_per_elpot.mod' due to: qmmm_per_elpot.o /build/reproducible-path/cp2k-2023.1/src/qmmm_per_elpot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod ewald_environment_types.mod qmmm_types_low.mod ewald_pw_types.mod cell_types.mod qmmm_gaussian_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod mathconstants.mod kinds.mod ao_util.mod input_constants.mod ewald_spline_util.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_pw_grid.mod' due to: qmmm_pw_grid.o /build/reproducible-path/cp2k-2023.1/src/qmmm_pw_grid.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod pw_pool_types.mod qmmm_types_low.mod pw_grid_types.mod message_passing.mod pw_grids.mod input_constants.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_compression_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_links_methods.mod' due to: qmmm_links_methods.o /build/reproducible-path/cp2k-2023.1/src/qmmm_links_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qmmm_types_low.mod base_hooks.mod cp_log_handling.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1105:52: - - 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") - | ^ -Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1068:33: - - 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & - | ^ -note: 'ch_j' was declared here -/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1105:44: - - 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") - | ^ -Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1068:27: - - 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & - | ^ -note: 'ch_i' was declared here -/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1105:39: - - 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") - | ^ -Warning: 'tij' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1068:93: - - 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & - | ^ -note: 'tij' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_xc.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod xc_input_constants.mod input_constants.mod input_cp2k_hfx.mod kinds.mod cp_output_handling.mod xc_libxc.mod input_cp2k_mp2.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_xc.F input_cp2k_xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:13 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_xc.F90 -/build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F:297:46: +/build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F:259:37: - 297 | factor = factor*S1234*SQRT(tmp) - | ^ + 259 | factor = factor*S1234*SQRT(tmp) + | ^ Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F:83:50: +/build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F:92:71: - 83 | REAL(dp) :: C11(3), den, Eta, EtaInv, factor, Fm(prim_data_f_size), G(3), num, omega2, & - | ^ + 92 | REAL(KIND=dp) :: AB(3), AB2, CD(3), CD2, den, Eta, EtaInv, factor, G(3), num, omega2, & + | ^ note: 'factor' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_xc.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_cp2k_hfx.mod xc_libxc.mod input_cp2k_mp2.mod kinds.mod xc_input_constants.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_xc.F input_cp2k_xc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_compression_methods.mod' due to: hfx_compression_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_compression_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod base_hooks.mod hfx_compression_core_methods.mod kinds.mod cp_files.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_xc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_store_int_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod input_section_types.mod base_hooks.mod hfx_compression_methods.mod kinds.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90 /build/reproducible-path/cp2k-2023.1/src/force_fields_all.F:2654:39: 2654 | rmin = rmin2_a + rmin2_b @@ -56186,15 +56160,111 @@ 2554 | REAL(KIND=dp) :: epsilon0, epsilon_a, epsilon_b, & | ^ note: 'epsilon_a' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_setup.mod' due to: mp2_setup.o /build/reproducible-path/cp2k-2023.1/src/mp2_setup.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod input_section_types.mod mathlib.mod cp_parser_methods.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_eri_mme_interface.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_store_int_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_types.mod' due to: mp2_types.o /build/reproducible-path/cp2k-2023.1/src/mp2_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_force_types.mod hfx_types.mod qs_p_env_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod cp_eri_mme_interface.mod libint_2c_3c.mod local_gemm_api.mod input_constants.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_pair_list_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cell_types.mod hfx_types.mod mp2_types.mod t_c_g0.mod base_hooks.mod t_sh_p_s_c.mod mathconstants.mod libint_wrapper.mod kinds.mod input_constants.mod gamma.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F hfx_pair_list_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_setup.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_setup.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod cp_eri_mme_interface.mod cp_parser_methods.mod machine.mod kinds.mod input_constants.mod mathlib.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_setup.F mp2_setup.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_pair_list_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_grad_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod mp2_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod libint_2c_3c.mod kinds.mod cp_dbcsr_operations.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_setup.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_grad_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_store_int_types.mod' due to: semi_empirical_store_int_types.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_store_int_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod input_section_types.mod base_hooks.mod hfx_compression_methods.mod kinds.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F:297:46: + + 297 | factor = factor*S1234*SQRT(tmp) + | ^ +Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F:83:50: + + 83 | REAL(dp) :: C11(3), den, Eta, EtaInv, factor, Fm(prim_data_f_size), G(3), num, omega2, & + | ^ +note: 'factor' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_util.mod' due to: topology_util.o /build/reproducible-path/cp2k-2023.1/src/topology_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 topology_types.mod qmmm_types_low.mod input_section_types.mod mm_mapping_library.mod base_hooks.mod string_utilities.mod periodic_table.mod string_table.mod cp_log_handling.mod graphcon.mod kinds.mod util.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'semi_empirical_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod base_hooks.mod semi_empirical_int_ana.mod hfx_compression_methods.mod semi_empirical_int_num.mod kinds.mod input_constants.mod semi_empirical_int_gks.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_setup.mod' due to: mp2_setup.o /build/reproducible-path/cp2k-2023.1/src/mp2_setup.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod cp_eri_mme_interface.mod cp_parser_methods.mod machine.mod kinds.mod input_constants.mod mathlib.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:38:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' semi_empirical_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_coordinate_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod topology_types.mod exclusion_types.mod qmmm_types_low.mod input_section_types.mod external_potential_types.mod base_hooks.mod topology_util.mod string_table.mod memory_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_coordinate_util.F topology_coordinate_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_generate_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_neighbor_list_types.mod topology_types.mod qmmm_types_low.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod memory_utilities.mod string_utilities.mod cp_units.mod util.mod topology_util.mod cp_log_handling.mod fist_neighbor_lists.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod periodic_table.mod string_table.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F topology_generate_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_pair_list_methods.mod' due to: hfx_pair_list_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cell_types.mod hfx_types.mod mp2_types.mod t_c_g0.mod base_hooks.mod t_sh_p_s_c.mod mathconstants.mod libint_wrapper.mod kinds.mod input_constants.mod gamma.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_pair_list_methods.mod' due to: hfx_pair_list_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_pair_list_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod mp2_types.mod hfx_types.mod particle_types.mod libint_wrapper.mod gamma.mod mathconstants.mod input_constants.mod t_c_g0.mod kinds.mod t_sh_p_s_c.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_coordinate_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_xc.mod' due to: input_cp2k_xc.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod string_utilities.mod input_cp2k_hfx.mod xc_libxc.mod input_cp2k_mp2.mod kinds.mod xc_input_constants.mod input_constants.mod bibliography.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_load_balance_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod cp_para_types.mod parallel_rng_types.mod hfx_types.mod particle_types.mod message_passing.mod input_constants.mod hfx_pair_list_methods.mod kinds.mod util.mod base_hooks.mod cp_files.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_generate_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_load_balance_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod cell_types.mod hfx_types.mod cp_para_types.mod base_hooks.mod message_passing.mod input_constants.mod kinds.mod cp_files.mod hfx_pair_list_methods.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_load_balance_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix_integrals.mod' due to: se_fock_matrix_integrals.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_store_int_types.mod semi_empirical_int_arrays.mod kinds.mod base_hooks.mod semi_empirical_integrals.mod +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1896:59: + + 1896 | atm_symbol = id2str(atom_info%id_element(i)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:629:58: + + 629 | upper_sym_1 = id2str(atom_info%id_element(iatom)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod kinds.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atom.F input_cp2k_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_load_balance_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_ec.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod input_cp2k_voronoi.mod input_cp2k_mm.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ec.F input_cp2k_ec.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_atom.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'semi_empirical_integrals.mod' due to: semi_empirical_integrals.o /build/reproducible-path/cp2k-2023.1/src/semi_empirical_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod base_hooks.mod semi_empirical_int_ana.mod hfx_compression_methods.mod semi_empirical_int_num.mod kinds.mod input_constants.mod semi_empirical_int_gks.mod memory_utilities.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_ec.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod base_hooks.mod semi_empirical_integrals.mod kinds.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90 +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1655:34: + + 1655 | ind = wrk(i)%array1(j) + | ^ +Warning: 'wrk.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1600:63: + + 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk + | ^ +note: 'wrk.dim[0].stride' was declared here +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1655:34: + + 1655 | ind = wrk(i)%array1(j) + | ^ +Warning: 'wrk.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1600:63: + + 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk + | ^ +note: 'wrk.offset' was declared here +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1655:34: + + 1655 | ind = wrk(i)%array1(j) + | ^ +Warning: 'wrk.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1600:63: + + 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk + | ^ +note: 'wrk.data' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix_integrals.F90 +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1177:22: + + 1177 | IF (do_it > 0) THEN + | ^ +Warning: 'do_it' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1082:76: + + 1082 | INTEGER :: do_action, do_it, i, j, k, n_rep, & + | ^ +note: 'do_it' was declared here /build/reproducible-path/cp2k-2023.1/src/hfx_load_balance_methods.F:2362:45: 2362 | shm_bins_per_rank(i_thread + 1) = nbins @@ -56205,15 +56275,41 @@ 2340 | INTEGER :: i, j, k, my_rank, nbins, nranks, & | ^ note: 'nbins' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_util.mod' due to: topology_util.o /build/reproducible-path/cp2k-2023.1/src/topology_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod qmmm_types_low.mod string_table.mod string_utilities.mod mm_mapping_library.mod cp_log_handling.mod periodic_table.mod graphcon.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields_all.mod' due to: force_fields_all.o /build/reproducible-path/cp2k-2023.1/src/force_fields_all.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod shell_potential_types.mod force_field_kind_types.mod pair_potential_types.mod damping_dipole_types.mod external_potential_types.mod molecule_kind_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod splines_types.mod force_field_types.mod input_val_types.mod ewald_environment_types.mod input_section_types.mod cp_linked_list_input.mod input_cp2k_binary_restarts.mod memory_utilities.mod string_utilities.mod qmmm_ff_fist.mod mathconstants.mod pair_potential_coulomb.mod cp_log_handling.mod pair_potential.mod kinds.mod input_constants.mod physcon.mod atoms_input.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_coordinate_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exclusion_types.mod external_potential_types.mod atomic_kind_types.mod input_section_types.mod molecule_types.mod particle_types.mod topology_types.mod qmmm_types_low.mod molecule_kind_types.mod string_table.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod topology_util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_coordinate_util.F topology_coordinate_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_generate_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 topology_types.mod cp_para_types.mod atomic_kind_types.mod qmmm_types_low.mod fist_neighbor_list_types.mod input_section_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod string_utilities.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod memory_utilities.mod util.mod string_table.mod fist_neighbor_lists.mod base_hooks.mod topology_util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F topology_generate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_coordinate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_generate_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_xc.mod' due to: input_cp2k_xc.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_xc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod xc_input_constants.mod input_constants.mod input_cp2k_hfx.mod kinds.mod cp_output_handling.mod xc_libxc.mod input_cp2k_mp2.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_types.mod atomic_kind_types.mod shell_potential_types.mod force_field_kind_types.mod pair_potential_types.mod molecule_kind_types.mod colvar_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod force_field_types.mod ewald_environment_types.mod input_section_types.mod memory_utilities.mod string_utilities.mod cp_units.mod force_fields_all.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_fields_util.F force_fields_util.F90 +/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1105:52: + + 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") + | ^ +Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1068:33: + + 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & + | ^ +note: 'ch_j' was declared here +/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1105:44: + + 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") + | ^ +Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1068:27: + + 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & + | ^ +note: 'ch_i' was declared here +/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1105:39: + + 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") + | ^ +Warning: 'tij' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F:1068:93: + + 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & + | ^ +note: 'tij' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_atom.mod' due to: input_cp2k_atom.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod kinds.mod input_constants.mod cp_output_handling.mod true /build/reproducible-path/cp2k-2023.1/src/hfx_get_pmax_val.fypp:229:34: @@ -56385,24 +56481,22 @@ 1993 | jset, katom, kind_kind_idx, kkind, kset, latom, lkind, lset, swap_id | ^ note: 'swap_id' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_ec.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_cp2k_mm.mod input_cp2k_xc.mod input_constants.mod input_cp2k_voronoi.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ec.F input_cp2k_ec.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_cp2k_xc.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atom.F input_cp2k_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_ec.F90 -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1896:59: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_ec.mod' due to: input_cp2k_ec.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod input_cp2k_voronoi.mod input_cp2k_mm.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_dft.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_density_mixing_types.mod qs_mom_types.mod input_keyword_types.mod input_val_types.mod input_section_types.mod input_cp2k_xc.mod input_cp2k_external.mod input_cp2k_ls.mod input_cp2k_transport.mod bibliography.mod string_utilities.mod qs_fb_input.mod cp_units.mod input_cp2k_rsgrid.mod cp_spline_utils.mod input_cp2k_mm.mod input_cp2k_almo.mod input_cp2k_exstate.mod input_cp2k_kpoints.mod input_cp2k_field.mod pw_spline_utils.mod input_cp2k_poisson.mod input_cp2k_loc.mod kinds.mod input_constants.mod input_cp2k_distribution.mod pw_grids.mod input_cp2k_tb.mod cp_output_handling.mod base_hooks.mod input_cp2k_voronoi.mod input_cp2k_ec.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_dft.F input_cp2k_dft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_dft.F90 +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:763:35: - 1896 | atm_symbol = id2str(atom_info%id_element(i)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:629:58: + 763 | rbond2 = rbond*rbond + | ^ +Warning: 'rbond' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:578:95: - 629 | upper_sym_1 = id2str(atom_info%id_element(iatom)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_atom.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_libint_interface.mod' due to: hfx_libint_interface.o /build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod hfx_types.mod libint_wrapper.mod orbital_pointers.mod gamma.mod mathconstants.mod input_constants.mod t_c_g0.mod kinds.mod base_hooks.mod hfx_contraction_methods.mod -true + 578 | ksign, my_maxrad, r2, r2_min, rbond, & + | ^ +note: 'rbond' was declared here /build/reproducible-path/cp2k-2023.1/src/hfx_load_balance_methods.F:1548:58: 1548 | bin_histogram(my_process_id + 1, 1) = my_bin_size @@ -56413,88 +56507,25 @@ 1497 | INTEGER :: data_from, dest, end_idx, handle, i, ibin, icpu, iprocess, j, mepos, my_bin_size, & | ^ note: 'my_bin_size' was declared here -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1655:34: - - 1655 | ind = wrk(i)%array1(j) - | ^ -Warning: 'wrk.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1600:63: - - 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk - | ^ -note: 'wrk.dim[0].stride' was declared here -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1655:34: - - 1655 | ind = wrk(i)%array1(j) - | ^ -Warning: 'wrk.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1600:63: - - 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk - | ^ -note: 'wrk.offset' was declared here -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1655:34: - - 1655 | ind = wrk(i)%array1(j) - | ^ -Warning: 'wrk.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1600:63: - - 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk - | ^ -note: 'wrk.data' was declared here -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1177:22: - - 1177 | IF (do_it > 0) THEN - | ^ -Warning: 'do_it' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:1082:76: - - 1082 | INTEGER :: do_action, do_it, i, j, k, n_rep, & - | ^ -note: 'do_it' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_ec.mod' due to: input_cp2k_ec.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_ec.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod bibliography.mod input_cp2k_mm.mod input_cp2k_xc.mod input_constants.mod input_cp2k_voronoi.mod kinds.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields_all.mod' due to: force_fields_all.o /build/reproducible-path/cp2k-2023.1/src/force_fields_all.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ewald_environment_types.mod splines_types.mod force_field_types.mod atomic_kind_types.mod molecule_types.mod pair_potential_types.mod qmmm_types_low.mod shell_potential_types.mod input_section_types.mod force_field_kind_types.mod molecule_kind_types.mod external_potential_types.mod cell_types.mod particle_types.mod input_val_types.mod damping_dipole_types.mod pair_potential.mod cp_linked_list_input.mod input_cp2k_binary_restarts.mod cp_log_handling.mod physcon.mod string_utilities.mod pair_potential_coulomb.mod input_constants.mod kinds.mod mathconstants.mod memory_utilities.mod atoms_input.mod qmmm_ff_fist.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_grad_util.mod' due to: mp2_ri_grad_util.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod mp2_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod libint_2c_3c.mod kinds.mod cp_dbcsr_operations.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_grad_util.mod' due to: mp2_ri_grad_util.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod cp_fm_types.mod group_dist_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod parallel_gemm_api.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod util.mod base_hooks.mod libint_2c_3c.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix_integrals.mod' due to: se_fock_matrix_integrals.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod base_hooks.mod semi_empirical_integrals.mod kinds.mod semi_empirical_int_arrays.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_dft.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_mom_types.mod basis_set_types.mod input_keyword_types.mod input_val_types.mod qs_density_mixing_types.mod cp_spline_utils.mod bibliography.mod input_cp2k_transport.mod input_cp2k_xc.mod cp_output_handling.mod input_cp2k_kpoints.mod input_cp2k_ec.mod input_cp2k_loc.mod input_cp2k_external.mod string_utilities.mod cp_units.mod input_cp2k_rsgrid.mod input_constants.mod kinds.mod input_cp2k_ls.mod input_cp2k_tb.mod input_cp2k_almo.mod input_cp2k_distribution.mod pw_spline_utils.mod pw_grids.mod input_cp2k_mm.mod input_cp2k_field.mod input_cp2k_voronoi.mod qs_fb_input.mod base_hooks.mod input_cp2k_exstate.mod input_cp2k_poisson.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_dft.F input_cp2k_dft.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod ewald_environment_types.mod force_field_types.mod atomic_kind_types.mod molecule_types.mod qmmm_types_low.mod shell_potential_types.mod input_section_types.mod force_field_kind_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod pair_potential_types.mod colvar_types.mod cp_log_handling.mod cp_output_handling.mod string_utilities.mod cp_units.mod kinds.mod memory_utilities.mod force_fields_all.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_fields_util.F force_fields_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_communication.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_communication.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod cp_fm_types.mod group_dist_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod mp2_ri_grad_util.mod cp_blacs_env.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_communication.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_communication.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod mp2_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_blacs_env.mod mp2_ri_grad_util.mod kinds.mod cp_dbcsr_operations.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_communication.F rpa_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_dft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_gpw.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod dgemm_counter_types.mod mp2_types.mod cp_para_types.mod message_passing.mod machine.mod local_gemm_api.mod mp2_ri_grad_util.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod libint_2c_3c.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_gpw.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod dgemm_counter_types.mod mp2_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod machine.mod libint_2c_3c.mod local_gemm_api.mod mp2_ri_grad_util.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_gpw.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_atom.mod' due to: input_cp2k_atom.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_cp2k_xc.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_communication.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_coordinate_util.mod' due to: topology_coordinate_util.o /build/reproducible-path/cp2k-2023.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod topology_types.mod exclusion_types.mod qmmm_types_low.mod input_section_types.mod external_potential_types.mod base_hooks.mod topology_util.mod string_table.mod memory_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod true /build/reproducible-path/cp2k-2023.1/src/input_cp2k_dft.F:6040:34: 6040 | SUBROUTINE create_rigpw_section(section) | ^ Warning: 'create_rigpw_section' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:763:35: - - 763 | rbond2 = rbond*rbond - | ^ -Warning: 'rbond' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:578:95: - - 578 | ksign, my_maxrad, r2, r2_min, rbond, & - | ^ -note: 'rbond' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_coordinate_util.mod' due to: topology_coordinate_util.o /build/reproducible-path/cp2k-2023.1/src/topology_coordinate_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exclusion_types.mod external_potential_types.mod atomic_kind_types.mod input_section_types.mod molecule_types.mod particle_types.mod topology_types.mod qmmm_types_low.mod molecule_kind_types.mod string_table.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod topology_util.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_gpw.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_libint_interface.mod' due to: hfx_libint_interface.o /build/reproducible-path/cp2k-2023.1/src/hfx_libint_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod hfx_types.mod t_c_g0.mod base_hooks.mod mathconstants.mod libint_wrapper.mod hfx_contraction_methods.mod input_constants.mod gamma.mod kinds.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_communication.mod' due to: rpa_communication.o /build/reproducible-path/cp2k-2023.1/src/rpa_communication.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod cp_fm_types.mod group_dist_types.mod cp_para_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod mp2_ri_grad_util.mod cp_blacs_env.mod kinds.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bse.o' due to: /build/reproducible-path/cp2k-2023.1/src/bse.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod cp_fm_types.mod group_dist_types.mod cp_para_types.mod message_passing.mod rpa_communication.mod cp_fm_cholesky.mod parallel_gemm_api.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/bse.F bse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bse.F90 /build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F:497:101: 497 | atom_info%map_mol_typ(ilast + 1), atom_info%map_mol_num(ilast + 1)) @@ -56505,18 +56536,23 @@ 191 | ilast, inum, istart, itype, iw, j, jump1, jump2, last, max_mol_num, mol_num, mol_res, & | ^ note: 'ilast' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_load_balance_methods.mod' due to: hfx_load_balance_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod cp_para_types.mod parallel_rng_types.mod hfx_types.mod particle_types.mod message_passing.mod input_constants.mod hfx_pair_list_methods.mod kinds.mod util.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_communication.mod' due to: rpa_communication.o /build/reproducible-path/cp2k-2023.1/src/rpa_communication.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod mp2_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod message_passing.mod cp_fm_struct.mod cp_blacs_env.mod mp2_ri_grad_util.mod kinds.mod cp_dbcsr_operations.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_generate_util.mod' due to: topology_generate_util.o /build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 topology_types.mod cp_para_types.mod atomic_kind_types.mod qmmm_types_low.mod fist_neighbor_list_types.mod input_section_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod string_utilities.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod memory_utilities.mod util.mod string_table.mod fist_neighbor_lists.mod base_hooks.mod topology_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bse.o' due to: /build/reproducible-path/cp2k-2023.1/src/bse.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod mp2_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod message_passing.mod cp_fm_basic_linalg.mod rpa_communication.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/bse.F bse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bse.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_generate_util.mod' due to: topology_generate_util.o /build/reproducible-path/cp2k-2023.1/src/topology_generate_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod fist_neighbor_list_types.mod topology_types.mod qmmm_types_low.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod memory_utilities.mod string_utilities.mod cp_units.mod util.mod topology_util.mod cp_log_handling.mod fist_neighbor_lists.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod periodic_table.mod string_table.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_amber.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_amber.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod force_field_types.mod input_section_types.mod particle_types.mod topology_types.mod cp_para_types.mod string_table.mod qmmm_ff_fist.mod cp_units.mod cp_parser_methods.mod topology_generate_util.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod util.mod base_hooks.mod input_cp2k_restarts_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_amber.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_amber.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cp_parser_types.mod topology_types.mod force_field_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod string_table.mod qmmm_ff_fist.mod cp_log_handling.mod cp_parser_methods.mod input_cp2k_restarts_util.mod topology_generate_util.mod kinds.mod memory_utilities.mod util.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_amber.F topology_amber.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_amber.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields_util.mod' due to: force_fields_util.o /build/reproducible-path/cp2k-2023.1/src/force_fields_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod ewald_environment_types.mod force_field_types.mod atomic_kind_types.mod molecule_types.mod qmmm_types_low.mod shell_potential_types.mod input_section_types.mod force_field_kind_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod pair_potential_types.mod colvar_types.mod cp_log_handling.mod cp_output_handling.mod string_utilities.mod cp_units.mod kinds.mod memory_utilities.mod force_fields_all.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_amber.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_load_balance_methods.mod' due to: hfx_load_balance_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_load_balance_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod cell_types.mod hfx_types.mod cp_para_types.mod base_hooks.mod message_passing.mod input_constants.mod kinds.mod cp_files.mod hfx_pair_list_methods.mod util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields_util.mod' due to: force_fields_util.o /build/reproducible-path/cp2k-2023.1/src/force_fields_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_types.mod atomic_kind_types.mod shell_potential_types.mod force_field_kind_types.mod pair_potential_types.mod molecule_kind_types.mod colvar_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod force_field_types.mod ewald_environment_types.mod input_section_types.mod memory_utilities.mod string_utilities.mod cp_units.mod force_fields_all.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_val_types.mod cp_para_types.mod force_field_types.mod shell_potential_types.mod input_section_types.mod force_field_kind_types.mod pair_potential_types.mod damping_dipole_types.mod cp_linked_list_input.mod bibliography.mod cp_log_handling.mod force_fields_util.mod cp_output_handling.mod mathlib.mod string_utilities.mod cp_units.mod cp_parser_methods.mod kinds.mod mathconstants.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod shell_potential_types.mod force_field_kind_types.mod pair_potential_types.mod input_val_types.mod damping_dipole_types.mod cp_para_types.mod force_field_types.mod input_section_types.mod force_fields_util.mod bibliography.mod memory_utilities.mod string_utilities.mod cp_units.mod cp_parser_methods.mod mathconstants.mod mathlib.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_linked_list_input.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_fields_input.F force_fields_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields_input.F90 /build/reproducible-path/cp2k-2023.1/src/force_fields_input.F:1416:73: 1416 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met1 = atm_names(1) @@ -56537,8 +56573,16 @@ 1327 | nonbonded%pot(start + isec)%pot%set(1)%gal%met2 = atm_names(2) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bse.mod' due to: bse.o /build/reproducible-path/cp2k-2023.1/src/bse.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mp2_types.mod cp_fm_types.mod group_dist_types.mod cp_para_types.mod message_passing.mod rpa_communication.mod cp_fm_cholesky.mod parallel_gemm_api.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bse.mod' due to: bse.o /build/reproducible-path/cp2k-2023.1/src/bse.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod mp2_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod message_passing.mod cp_fm_basic_linalg.mod rpa_communication.mod kinds.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc.mod' due to: xc.o /build/reproducible-path/cp2k-2023.1/src/xc/xc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_rho_set_types.mod pw_types.mod input_section_types.mod pw_pool_types.mod xc_derivative_set_types.mod pw_grid_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod cp_linked_list_xc_deriv.mod cp_array_utils.mod xc_derivatives.mod pw_methods.mod message_passing.mod kahan_sum.mod cp_log_handling.mod kinds.mod base_hooks.mod xc_util.mod xc_input_constants.mod xc_derivative_desc.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod pw_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_linked_list_xc_deriv.mod xc.mod xc_derivatives.mod kinds.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_atom.F xc_atom.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_vxc.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_vxc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qs_dispersion_types.mod qs_ks_types.mod cell_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod input_section_types.mod virial_types.mod cp_control_types.mod base_hooks.mod xc.mod qs_dispersion_nonloc.mod pw_methods.mod kinds.mod input_constants.mod pw_grids.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_vxc.F qs_vxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_vxc.F90 /build/reproducible-path/cp2k-2023.1/src/topology_amber.F:568:66: 568 | ALLOCATE (amb_info%raw_torsion_m(nptra), source=pn) @@ -56749,6 +56793,8 @@ 389 | INTEGER, ALLOCATABLE, DIMENSION(:) :: iac, ib, ibh, icb, icbh, ico, icp, icph, & | ^ note: 'ib.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_vxc.mod' due to: qs_vxc.o /build/reproducible-path/cp2k-2023.1/src/qs_vxc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qs_dispersion_types.mod qs_ks_types.mod cell_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod input_section_types.mod virial_types.mod cp_control_types.mod base_hooks.mod xc.mod qs_dispersion_nonloc.mod pw_methods.mod kinds.mod input_constants.mod pw_grids.mod +true /build/reproducible-path/cp2k-2023.1/src/mp2_ri_gpw.F:2518:108: 2518 | do_send_j = (ispin /= kspin) .OR. send_j < send_k .OR. send_j > send_k + block_size - 1 @@ -56759,31 +56805,46 @@ 2151 | INTEGER :: a, a_global, b, b_global, block_size, decil, handle, handle2, ijk_counter, & | ^ note: 'block_size' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc.mod' due to: xc.o /build/reproducible-path/cp2k-2023.1/src/xc/xc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod xc_derivative_set_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod pw_types.mod xc_util.mod xc_input_constants.mod cp_log_handling.mod pw_methods.mod xc_derivatives.mod kinds.mod cp_array_utils.mod cp_linked_list_xc_deriv.mod message_passing.mod kahan_sum.mod xc_derivative_desc.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod pw_pool_types.mod pw_types.mod xc_derivative_types.mod xc.mod xc_derivative_desc.mod xc_derivatives.mod cp_linked_list_xc_deriv.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc/xc_atom.F xc_atom.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_vxc.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_vxc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cell_types.mod pw_env_types.mod input_section_types.mod qs_rho_types.mod qs_dispersion_types.mod qs_ks_types.mod pw_pool_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_dispersion_nonloc.mod xc.mod pw_grids.mod input_constants.mod kinds.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_vxc.F qs_vxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/xc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_vxc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_amber.mod' due to: topology_amber.o /build/reproducible-path/cp2k-2023.1/src/topology_amber.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod force_field_types.mod input_section_types.mod particle_types.mod topology_types.mod cp_para_types.mod string_table.mod qmmm_ff_fist.mod cp_units.mod cp_parser_methods.mod topology_generate_util.mod cp_log_handling.mod kinds.mod memory_utilities.mod cp_output_handling.mod util.mod base_hooks.mod input_cp2k_restarts_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_amber.mod' due to: topology_amber.o /build/reproducible-path/cp2k-2023.1/src/topology_amber.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cp_parser_types.mod topology_types.mod force_field_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_units.mod string_table.mod qmmm_ff_fist.mod cp_log_handling.mod cp_parser_methods.mod input_cp2k_restarts_util.mod topology_generate_util.mod kinds.mod memory_utilities.mod util.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields_ext.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields_ext.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod force_field_types.mod input_section_types.mod particle_types.mod force_field_kind_types.mod cp_para_types.mod string_utilities.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod topology_amber.mod kinds.mod cp_output_handling.mod memory_utilities.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields_ext.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields_ext.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cp_parser_types.mod force_field_kind_types.mod force_field_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod topology_amber.mod string_utilities.mod cp_units.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod memory_utilities.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_fields_ext.F force_fields_ext.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields_ext.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields_input.mod' due to: force_fields_input.o /build/reproducible-path/cp2k-2023.1/src/force_fields_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_val_types.mod cp_para_types.mod force_field_types.mod shell_potential_types.mod input_section_types.mod force_field_kind_types.mod pair_potential_types.mod damping_dipole_types.mod cp_linked_list_input.mod bibliography.mod cp_log_handling.mod force_fields_util.mod cp_output_handling.mod mathlib.mod string_utilities.mod cp_units.mod cp_parser_methods.mod kinds.mod mathconstants.mod memory_utilities.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields_ext.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_atom.mod' due to: xc_atom.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod xc_derivative_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod pw_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod cp_linked_list_xc_deriv.mod xc.mod xc_derivatives.mod kinds.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_psf.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_psf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod topology_types.mod cp_para_types.mod force_fields_input.mod string_table.mod string_utilities.mod qmmm_ff_fist.mod cp_parser_methods.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod util.mod topology_util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_psf.F topology_psf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_psf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_vxc.mod' due to: qs_vxc.o /build/reproducible-path/cp2k-2023.1/src/qs_vxc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cell_types.mod pw_env_types.mod input_section_types.mod qs_rho_types.mod qs_dispersion_types.mod qs_ks_types.mod pw_pool_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_dispersion_nonloc.mod xc.mod pw_grids.mod input_constants.mod kinds.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a' due to: xc_xwpbe.o xc_xpbe_hole_t_c_lr.o xc_xlda_hole_t_c_lr.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_xbeef.o xc_xbecke_roussel.o xc_xbecke88_lr_adiabatic.o xc_xbecke88_long_range.o xc_xbecke88.o xc_xalpha.o xc_vwn.o xc_util.o xc_tpss.o xc_thomas_fermi.o xc_tfw.o xc_rho_set_types.o xc_rho_cflags_types.o xc_perdew_zunger.o xc_perdew_wang.o xc_perdew86.o xc_pbe.o xc_pade.o xc_optx.o xc_lyp_adiabatic.o xc_lyp.o xc_libxc_wrap.o xc_libxc.o xc_ke_gga.o xc_input_constants.o xc_hcth.o xc_functionals_utilities.o xc_exchange_gga.o xc_derivatives.o xc_derivative_types.o xc_derivative_set_types.o xc_derivative_desc.o xc_cs1.o xc_b97.o xc_atom.o xc.o cp_linked_list_xc_deriv.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a xc_xwpbe.o xc_xpbe_hole_t_c_lr.o xc_xlda_hole_t_c_lr.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_xbeef.o xc_xbecke_roussel.o xc_xbecke88_lr_adiabatic.o xc_xbecke88_long_range.o xc_xbecke88.o xc_xalpha.o xc_vwn.o xc_util.o xc_tpss.o xc_thomas_fermi.o xc_tfw.o xc_rho_set_types.o xc_rho_cflags_types.o xc_perdew_zunger.o xc_perdew_wang.o xc_perdew86.o xc_pbe.o xc_pade.o xc_optx.o xc_lyp_adiabatic.o xc_lyp.o xc_libxc_wrap.o xc_libxc.o xc_ke_gga.o xc_input_constants.o xc_hcth.o xc_functionals_utilities.o xc_exchange_gga.o xc_derivatives.o xc_derivative_types.o xc_derivative_set_types.o xc_derivative_desc.o xc_cs1.o xc_b97.o xc_atom.o xc.o cp_linked_list_xc_deriv.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_xc.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_xc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod atom_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod atom_utils.mod xc_atom.mod mathconstants.mod xc_derivatives.mod kinds.mod input_constants.mod cp_files.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_xc.F atom_xc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields_input.mod' due to: force_fields_input.o /build/reproducible-path/cp2k-2023.1/src/force_fields_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod shell_potential_types.mod force_field_kind_types.mod pair_potential_types.mod input_val_types.mod damping_dipole_types.mod cp_para_types.mod force_field_types.mod input_section_types.mod force_fields_util.mod bibliography.mod memory_utilities.mod string_utilities.mod cp_units.mod cp_parser_methods.mod mathconstants.mod mathlib.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_linked_list_input.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_xc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_psf.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_psf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod topology_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod topology_util.mod string_table.mod memory_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod cp_parser_methods.mod force_fields_input.mod kinds.mod input_constants.mod util.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_psf.F topology_psf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_psf.F90 /build/reproducible-path/cp2k-2023.1/src/topology_psf.F:780:81: 780 | extension=".psf", my_local=.FALSE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields_ext.mod' due to: force_fields_ext.o /build/reproducible-path/cp2k-2023.1/src/force_fields_ext.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cp_parser_types.mod force_field_kind_types.mod force_field_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod topology_amber.mod string_utilities.mod cp_units.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod memory_utilities.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_types.mod atomic_kind_types.mod force_field_kind_types.mod molecule_kind_types.mod cp_para_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod force_field_types.mod ewald_environment_types.mod input_section_types.mod force_fields_util.mod cp_units.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod force_fields_ext.mod force_fields_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_fields.F force_fields.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields.mod' due to: force_fields.o /build/reproducible-path/cp2k-2023.1/src/force_fields.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_types.mod atomic_kind_types.mod force_field_kind_types.mod molecule_kind_types.mod cp_para_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod force_field_types.mod ewald_environment_types.mod input_section_types.mod force_fields_util.mod cp_units.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod force_fields_ext.mod force_fields_input.mod +true +/build/reproducible-path/cp2k-2023.1/src/atom_xc.F:415:81: + + 415 | REAL(KIND=dp), DIMENSION(:), POINTER :: exc, vxca, vxcb, xfun + | ^ +Warning: 'xfun.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/atom_xc.F:415:81: Warning: 'xfun.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_psf.mod' due to: topology_psf.o /build/reproducible-path/cp2k-2023.1/src/topology_psf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod topology_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod topology_util.mod string_table.mod memory_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod cp_parser_methods.mod force_fields_input.mod kinds.mod input_constants.mod util.mod cp_output_handling.mod +true /build/reproducible-path/cp2k-2023.1/src/mp2_ri_gpw.F:674:28: 674 | DEALLOCATE (B_ia_Q) @@ -56794,90 +56855,84 @@ 133 | DIMENSION(:) :: B_ia_Q | ^ note: 'b_ia_q.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields_ext.mod' due to: force_fields_ext.o /build/reproducible-path/cp2k-2023.1/src/force_fields_ext.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod force_field_types.mod input_section_types.mod particle_types.mod force_field_kind_types.mod cp_para_types.mod string_utilities.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod topology_amber.mod kinds.mod cp_output_handling.mod memory_utilities.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_fields.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_fields.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod ewald_environment_types.mod cp_para_types.mod force_field_types.mod atomic_kind_types.mod molecule_types.mod qmmm_types_low.mod input_section_types.mod force_field_kind_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod force_fields_input.mod cp_log_handling.mod force_fields_util.mod cp_output_handling.mod cp_units.mod input_constants.mod force_fields_ext.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_fields.F force_fields.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_fields.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_atom.mod' due to: xc_atom.o /build/reproducible-path/cp2k-2023.1/src/xc/xc_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod pw_pool_types.mod pw_types.mod xc_derivative_types.mod xc.mod xc_derivative_desc.mod xc_derivatives.mod cp_linked_list_xc_deriv.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a' due to: xc_xwpbe.o xc_xpbe_hole_t_c_lr.o xc_xlda_hole_t_c_lr.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_xbeef.o xc_xbecke_roussel.o xc_xbecke88_lr_adiabatic.o xc_xbecke88_long_range.o xc_xbecke88.o xc_xalpha.o xc_vwn.o xc_util.o xc_tpss.o xc_thomas_fermi.o xc_tfw.o xc_rho_set_types.o xc_rho_cflags_types.o xc_perdew_zunger.o xc_perdew_wang.o xc_perdew86.o xc_pbe.o xc_pade.o xc_optx.o xc_lyp_adiabatic.o xc_lyp.o xc_libxc_wrap.o xc_libxc.o xc_ke_gga.o xc_input_constants.o xc_hcth.o xc_functionals_utilities.o xc_exchange_gga.o xc_derivatives.o xc_derivative_types.o xc_derivative_set_types.o xc_derivative_desc.o xc_cs1.o xc_b97.o xc_atom.o xc.o cp_linked_list_xc_deriv.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a xc_xwpbe.o xc_xpbe_hole_t_c_lr.o xc_xlda_hole_t_c_lr.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_xbeef.o xc_xbecke_roussel.o xc_xbecke88_lr_adiabatic.o xc_xbecke88_long_range.o xc_xbecke88.o xc_xalpha.o xc_vwn.o xc_util.o xc_tpss.o xc_thomas_fermi.o xc_tfw.o xc_rho_set_types.o xc_rho_cflags_types.o xc_perdew_zunger.o xc_perdew_wang.o xc_perdew86.o xc_pbe.o xc_pade.o xc_optx.o xc_lyp_adiabatic.o xc_lyp.o xc_libxc_wrap.o xc_libxc.o xc_ke_gga.o xc_input_constants.o xc_hcth.o xc_functionals_utilities.o xc_exchange_gga.o xc_derivatives.o xc_derivative_types.o xc_derivative_set_types.o xc_derivative_desc.o xc_cs1.o xc_b97.o xc_atom.o xc.o cp_linked_list_xc_deriv.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_xc.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_xc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_derivative_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod atom_types.mod xc_atom.mod xc_derivative_desc.mod xc_derivatives.mod mathconstants.mod input_constants.mod atom_utils.mod kinds.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_xc.F atom_xc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_fields.mod' due to: force_fields.o /build/reproducible-path/cp2k-2023.1/src/force_fields.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod ewald_environment_types.mod cp_para_types.mod force_field_types.mod atomic_kind_types.mod molecule_types.mod qmmm_types_low.mod input_section_types.mod force_field_kind_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod force_fields_input.mod cp_log_handling.mod force_fields_util.mod cp_output_handling.mod cp_units.mod input_constants.mod force_fields_ext.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_xc.mod' due to: atom_xc.o /build/reproducible-path/cp2k-2023.1/src/atom_xc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod atom_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod atom_utils.mod xc_atom.mod mathconstants.mod xc_derivatives.mod kinds.mod input_constants.mod cp_files.mod xc_derivative_desc.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_xc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_psf.mod' due to: topology_psf.o /build/reproducible-path/cp2k-2023.1/src/topology_psf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod input_section_types.mod topology_types.mod cp_para_types.mod force_fields_input.mod string_table.mod string_utilities.mod qmmm_ff_fist.mod cp_parser_methods.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod util.mod topology_util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_gpw.mod' due to: mp2_ri_gpw.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod dgemm_counter_types.mod mp2_types.mod cp_para_types.mod message_passing.mod machine.mod local_gemm_api.mod mp2_ri_grad_util.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod libint_2c_3c.mod -true -/build/reproducible-path/cp2k-2023.1/src/atom_xc.F:415:81: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_electronic_structure.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod atom_xc.mod base_hooks.mod atom_utils.mod atom_optimization.mod kinds.mod input_constants.mod atom_output.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F atom_electronic_structure.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_electronic_structure.F90 +/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:691:13: - 415 | REAL(KIND=dp), DIMENSION(:), POINTER :: exc, vxca, vxcb, xfun - | ^ -Warning: 'xfun.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_xc.F:415:81: Warning: 'xfun.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_dft.mod' due to: input_cp2k_dft.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_mom_types.mod basis_set_types.mod input_keyword_types.mod input_val_types.mod qs_density_mixing_types.mod cp_spline_utils.mod bibliography.mod input_cp2k_transport.mod input_cp2k_xc.mod cp_output_handling.mod input_cp2k_kpoints.mod input_cp2k_ec.mod input_cp2k_loc.mod input_cp2k_external.mod string_utilities.mod cp_units.mod input_cp2k_rsgrid.mod input_constants.mod kinds.mod input_cp2k_ls.mod input_cp2k_tb.mod input_cp2k_almo.mod input_cp2k_distribution.mod pw_spline_utils.mod pw_grids.mod input_cp2k_mm.mod input_cp2k_field.mod input_cp2k_voronoi.mod qs_fb_input.mod base_hooks.mod input_cp2k_exstate.mod input_cp2k_poisson.mod + 691 | IF (need_xc) THEN + | ^ +Warning: 'need_xc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:454:75: + + 454 | need_x, need_xc + | ^ +note: 'need_xc' was declared here +/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:664:13: + + 664 | IF (need_x) THEN + | ^ +Warning: 'need_x' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:454:66: + + 454 | need_x, need_xc + | ^ +note: 'need_x' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_dft.mod' due to: input_cp2k_dft.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_dft.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_density_mixing_types.mod qs_mom_types.mod input_keyword_types.mod input_val_types.mod input_section_types.mod input_cp2k_xc.mod input_cp2k_external.mod input_cp2k_ls.mod input_cp2k_transport.mod bibliography.mod string_utilities.mod qs_fb_input.mod cp_units.mod input_cp2k_rsgrid.mod cp_spline_utils.mod input_cp2k_mm.mod input_cp2k_almo.mod input_cp2k_exstate.mod input_cp2k_kpoints.mod input_cp2k_field.mod pw_spline_utils.mod input_cp2k_poisson.mod input_cp2k_loc.mod kinds.mod input_constants.mod input_cp2k_distribution.mod pw_grids.mod input_cp2k_tb.mod cp_output_handling.mod base_hooks.mod input_cp2k_voronoi.mod input_cp2k_ec.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'scf_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/scf_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_opt_types.mod input_enumeration_types.mod input_keyword_types.mod input_section_types.mod qs_ot_types.mod outer_scf_control_types.mod input_cp2k_dft.mod cp_units.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'scf_control_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/scf_control_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_enumeration_types.mod qs_ot_types.mod qs_cdft_opt_types.mod outer_scf_control_types.mod input_section_types.mod base_hooks.mod input_cp2k_dft.mod cp_units.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/scf_control_types.F scf_control_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_properties_dft.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_cp2k_dft.mod input_cp2k_loc.mod bibliography.mod cp_units.mod input_cp2k_resp.mod input_cp2k_xc.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod input_cp2k_atprop.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_properties_dft.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod input_cp2k_dft.mod cp_units.mod input_cp2k_resp.mod input_cp2k_loc.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_atprop.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' scf_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_properties_dft.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'scf_control_types.mod' due to: scf_control_types.o /build/reproducible-path/cp2k-2023.1/src/scf_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_cdft_opt_types.mod input_enumeration_types.mod input_keyword_types.mod input_section_types.mod qs_ot_types.mod outer_scf_control_types.mod input_cp2k_dft.mod cp_units.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' scf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_properties_dft.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'scf_control_types.mod' due to: scf_control_types.o /build/reproducible-path/cp2k-2023.1/src/scf_control_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_enumeration_types.mod qs_ot_types.mod qs_cdft_opt_types.mod outer_scf_control_types.mod input_section_types.mod base_hooks.mod input_cp2k_dft.mod cp_units.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod scf_control_types.mod basis_set_types.mod cp_fm_types.mod cp_fm_pool_types.mod qs_loc_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cp_fm_pool_types.mod qs_loc_types.mod qs_scf_types.mod scf_control_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod kinds.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_env_types.F xas_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_lanczos.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod scf_control_types.mod cp_fm_types.mod qs_mo_types.mod cp_fm_struct.mod message_passing.mod cp_fm_cholesky.mod parallel_gemm_api.mod cp_log_handling.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_lanczos.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_fm_diag.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_pool_types.mod particle_types.mod kpoint_types.mod cp_log_handling.mod cp_fm_struct.mod cryssym.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod mathconstants.mod cp_blacs_env.mod memory_utilities.mod cp_fm_basic_linalg.mod cp_para_env.mod util.mod message_passing.mod parallel_gemm_api.mod qs_matrix_pools.mod fermi_utils.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_mo_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_matrix_pools.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod memory_utilities.mod mathconstants.mod util.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod fermi_utils.mod cryssym.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kpoint_methods.F kpoint_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_lanczos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_xc.mod' due to: atom_xc.o /build/reproducible-path/cp2k-2023.1/src/atom_xc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_derivative_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod atom_types.mod xc_atom.mod xc_derivative_desc.mod xc_derivatives.mod mathconstants.mod input_constants.mod atom_utils.mod kinds.mod base_hooks.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_electronic_structure.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_xc.mod atom_optimization.mod input_constants.mod atom_output.mod atom_utils.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F atom_electronic_structure.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_env_types.mod' due to: xas_env_types.o /build/reproducible-path/cp2k-2023.1/src/xas_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod scf_control_types.mod basis_set_types.mod cp_fm_types.mod cp_fm_pool_types.mod qs_loc_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_array_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_lanczos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_env_types.mod' due to: xas_env_types.o /build/reproducible-path/cp2k-2023.1/src/xas_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cp_fm_pool_types.mod qs_loc_types.mod qs_scf_types.mod scf_control_types.mod cp_fm_types.mod base_hooks.mod cp_array_utils.mod kinds.mod cp_dbcsr_operations.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_electronic_structure.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_wf_history_types.mod scf_control_types.mod global_types.mod qs_energy_types.mod transport_env_types.mod fist_nonbond_env_types.mod virial_types.mod qs_oce_types.mod qs_gcp_types.mod qs_rho_types.mod almo_scf_types.mod hfx_types.mod qs_dispersion_types.mod qs_mo_types.mod cp_result_types.mod atprop_types.mod qs_active_space_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod exstates_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod semi_empirical_mpole_types.mod rel_control_types.mod pw_env_types.mod cp_fm_types.mod molecule_types.mod kg_environment_types.mod qs_ks_types.mod hartree_local_types.mod cp_subsys_types.mod et_coupling_types.mod lri_environment_types.mod qmmm_types_low.mod qs_dftb_types.mod qs_neighbor_list_types.mod mscfg_types.mod qs_subsys_types.mod qs_period_efield_types.mod qs_rho0_types.mod qs_scf_types.mod xas_env_types.mod task_list_types.mod dm_ls_scf_types.mod mp2_types.mod input_section_types.mod wannier_states_types.mod cp_ddapc_types.mod ewald_pw_types.mod qs_linres_types.mod qs_charges_types.mod qs_rho_atom_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod admm_types.mod particle_types.mod kpoint_types.mod semi_empirical_store_int_types.mod distribution_2d_types.mod pw_types.mod rt_propagation_types.mod input_constants.mod kinds.mod cp_blacs_env.mod qs_matrix_pools.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod pw_env_types.mod qs_subsys_types.mod molecule_types.mod qs_dispersion_types.mod qs_ks_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_wf_history_types.mod qs_force_types.mod qs_rho0_types.mod qs_linres_types.mod qs_rho_atom_types.mod rel_control_types.mod ec_env_types.mod distribution_1d_types.mod mp2_types.mod cp_control_types.mod qs_oce_types.mod semi_empirical_store_int_types.mod qs_period_efield_types.mod qs_energy_types.mod ewald_pw_types.mod qs_gcp_types.mod exstates_types.mod qs_kind_types.mod hartree_local_types.mod hfx_types.mod pw_types.mod qs_mo_types.mod qs_ks_qmmm_types.mod task_list_types.mod mscfg_types.mod wannier_states_types.mod qs_charges_types.mod semi_empirical_types.mod virial_types.mod input_section_types.mod cp_result_types.mod lri_environment_types.mod molecule_kind_types.mod et_coupling_types.mod admm_types.mod dm_ls_scf_types.mod xas_env_types.mod qs_scf_types.mod qs_dftb_types.mod global_types.mod semi_empirical_mpole_types.mod cp_para_types.mod almo_scf_types.mod qmmm_types_low.mod transport_env_types.mod kg_environment_types.mod cp_subsys_types.mod qs_local_rho_types.mod kpoint_types.mod particle_types.mod cell_types.mod cp_ddapc_types.mod qs_rho_types.mod distribution_2d_types.mod scf_control_types.mod rt_propagation_types.mod qs_active_space_types.mod atprop_types.mod ewald_environment_types.mod cp_fm_types.mod qs_matrix_pools.mod kinds.mod input_constants.mod base_hooks.mod cp_blacs_env.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_environment_types.F qs_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mo_occupation.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod xas_env_types.mod qs_mo_types.mod kahan_sum.mod cp_log_handling.mod fermi_utils.mod input_constants.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mo_occupation.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xas_env_types.mod scf_control_types.mod qs_mo_types.mod base_hooks.mod kahan_sum.mod cp_log_handling.mod fermi_utils.mod kinds.mod input_constants.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mo_occupation.F qs_mo_occupation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mo_occupation.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_properties_dft.mod' due to: input_cp2k_properties_dft.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_section_types.mod input_val_types.mod string_utilities.mod input_cp2k_dft.mod input_cp2k_loc.mod bibliography.mod cp_units.mod input_cp2k_resp.mod input_cp2k_xc.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod input_cp2k_atprop.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_gpw.mod' due to: mp2_ri_gpw.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_gpw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 group_dist_types.mod dgemm_counter_types.mod mp2_types.mod cp_para_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod machine.mod libint_2c_3c.mod local_gemm_api.mod mp2_ri_grad_util.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_force_eval.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_output_handling.mod string_utilities.mod input_cp2k_dft.mod cp_units.mod input_constants.mod input_cp2k_eip.mod kinds.mod input_cp2k_embed.mod input_cp2k_properties_dft.mod input_cp2k_qmmm.mod input_cp2k_mm.mod input_cp2k_nnp.mod input_cp2k_pwdft.mod input_cp2k_mixed.mod input_cp2k_subsys.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 -/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:691:13: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mo_occupation.F90 +/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:342:13: - 691 | IF (need_xc) THEN + 342 | IF (need_xc) THEN | ^ Warning: 'need_xc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:454:75: +/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:137:75: - 454 | need_x, need_xc + 137 | need_x, need_xc, need_zmp | ^ note: 'need_xc' was declared here -/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:664:13: +/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:322:13: - 664 | IF (need_x) THEN + 322 | IF (need_x) THEN | ^ Warning: 'need_x' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:454:66: +/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:137:66: - 454 | need_x, need_xc + 137 | need_x, need_xc, need_zmp | ^ note: 'need_x' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_force_eval.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_properties_dft.mod' due to: input_cp2k_properties_dft.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_properties_dft.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod input_cp2k_dft.mod cp_units.mod input_cp2k_resp.mod input_cp2k_loc.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_atprop.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_force_eval.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_cp2k_pwdft.mod input_cp2k_embed.mod string_utilities.mod cp_units.mod input_cp2k_mm.mod input_cp2k_subsys.mod input_cp2k_properties_dft.mod input_cp2k_dft.mod input_cp2k_qmmm.mod kinds.mod input_cp2k_mixed.mod input_constants.mod cp_output_handling.mod base_hooks.mod input_cp2k_eip.mod input_cp2k_nnp.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 /build/reproducible-path/cp2k-2023.1/src/qs_mo_occupation.F:155:26: 155 | homo_a = lfomo_a - 1 @@ -56898,18 +56953,21 @@ 67 | lfomo_a, lfomo_b, nmo_a, nmo_b, & | ^ note: 'lfomo_b' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_lanczos.mod' due to: qs_scf_lanczos.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod scf_control_types.mod cp_fm_types.mod qs_mo_types.mod cp_fm_struct.mod message_passing.mod cp_fm_cholesky.mod parallel_gemm_api.mod cp_log_handling.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_force_eval.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_electronic_structure.mod' due to: atom_electronic_structure.o /build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod atom_xc.mod base_hooks.mod atom_utils.mod atom_optimization.mod kinds.mod input_constants.mod atom_output.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_force_eval.mod' due to: input_cp2k_force_eval.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_output_handling.mod string_utilities.mod input_cp2k_dft.mod cp_units.mod input_constants.mod input_cp2k_eip.mod kinds.mod input_cp2k_embed.mod input_cp2k_properties_dft.mod input_cp2k_qmmm.mod input_cp2k_mm.mod input_cp2k_nnp.mod input_cp2k_pwdft.mod input_cp2k_mixed.mod input_cp2k_subsys.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_lanczos.mod' due to: qs_scf_lanczos.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_lanczos.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_fm_diag.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mo_occupation.mod' due to: qs_mo_occupation.o /build/reproducible-path/cp2k-2023.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod xas_env_types.mod qs_mo_types.mod kahan_sum.mod cp_log_handling.mod fermi_utils.mod input_constants.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mo_occupation.mod' due to: qs_mo_occupation.o /build/reproducible-path/cp2k-2023.1/src/qs_mo_occupation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xas_env_types.mod scf_control_types.mod qs_mo_types.mod base_hooks.mod kahan_sum.mod cp_log_handling.mod fermi_utils.mod kinds.mod input_constants.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mo_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod admm_types.mod cp_fm_cholesky.mod cp_log_handling.mod physcon.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_dbcsr_diag.mod admm_utils.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod qs_mo_occupation.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_force_eval.mod' due to: input_cp2k_force_eval.o /build/reproducible-path/cp2k-2023.1/src/input_cp2k_force_eval.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_cp2k_pwdft.mod input_cp2k_embed.mod string_utilities.mod cp_units.mod input_cp2k_mm.mod input_cp2k_subsys.mod input_cp2k_properties_dft.mod input_cp2k_dft.mod input_cp2k_qmmm.mod kinds.mod input_cp2k_mixed.mod input_constants.mod cp_output_handling.mod base_hooks.mod input_cp2k_eip.mod input_cp2k_nnp.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mo_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod admm_types.mod cp_para_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_mo_occupation.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_diag.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mo_methods.F qs_mo_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mo_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mo_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_dftb_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod qs_dftb_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod cp_dbcsr_operations.mod kinds.mod qs_density_matrices.mod message_passing.mod kahan_sum.mod orbital_transformation_matrices.mod orbital_pointers.mod orbital_symbols.mod qs_mo_occupation.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mo_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mo_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod basis_set_types.mod qs_kind_types.mod qs_mo_types.mod qs_dftb_types.mod cp_para_types.mod particle_types.mod input_section_types.mod cp_dbcsr_operations.mod cp_files.mod qs_dftb_utils.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod physcon.mod qs_mo_occupation.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod orbital_transformation_matrices.mod orbital_symbols.mod qs_density_matrices.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mo_io.F qs_mo_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mo_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mo_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:18 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mo_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:18 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mo_io.F90 /build/reproducible-path/cp2k-2023.1/src/kpoint_methods.F:343:26: 343 | nkp_grp = npe/ngr @@ -57013,33 +57071,30 @@ 678 | INTEGER, DIMENSION(:), POINTER :: nset_info, nshell | ^ note: 'nset_info.data' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_methods.mod' due to: kpoint_methods.o /build/reproducible-path/cp2k-2023.1/src/kpoint_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_neighbor_list_types.mod cell_types.mod cp_fm_pool_types.mod particle_types.mod kpoint_types.mod cp_log_handling.mod cp_fm_struct.mod cryssym.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod mathconstants.mod cp_blacs_env.mod memory_utilities.mod cp_fm_basic_linalg.mod cp_para_env.mod util.mod message_passing.mod parallel_gemm_api.mod qs_matrix_pools.mod fermi_utils.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mo_methods.mod' due to: qs_mo_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod admm_types.mod cp_fm_cholesky.mod cp_log_handling.mod physcon.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_dbcsr_diag.mod admm_utils.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod qs_mo_occupation.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_environment_types.mod' due to: qs_environment_types.o /build/reproducible-path/cp2k-2023.1/src/qs_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod pw_env_types.mod qs_subsys_types.mod molecule_types.mod qs_dispersion_types.mod qs_ks_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod qs_wf_history_types.mod qs_force_types.mod qs_rho0_types.mod qs_linres_types.mod qs_rho_atom_types.mod rel_control_types.mod ec_env_types.mod distribution_1d_types.mod mp2_types.mod cp_control_types.mod qs_oce_types.mod semi_empirical_store_int_types.mod qs_period_efield_types.mod qs_energy_types.mod ewald_pw_types.mod qs_gcp_types.mod exstates_types.mod qs_kind_types.mod hartree_local_types.mod hfx_types.mod pw_types.mod qs_mo_types.mod qs_ks_qmmm_types.mod task_list_types.mod mscfg_types.mod wannier_states_types.mod qs_charges_types.mod semi_empirical_types.mod virial_types.mod input_section_types.mod cp_result_types.mod lri_environment_types.mod molecule_kind_types.mod et_coupling_types.mod admm_types.mod dm_ls_scf_types.mod xas_env_types.mod qs_scf_types.mod qs_dftb_types.mod global_types.mod semi_empirical_mpole_types.mod cp_para_types.mod almo_scf_types.mod qmmm_types_low.mod transport_env_types.mod kg_environment_types.mod cp_subsys_types.mod qs_local_rho_types.mod kpoint_types.mod particle_types.mod cell_types.mod cp_ddapc_types.mod qs_rho_types.mod distribution_2d_types.mod scf_control_types.mod rt_propagation_types.mod qs_active_space_types.mod atprop_types.mod ewald_environment_types.mod cp_fm_types.mod qs_matrix_pools.mod kinds.mod input_constants.mod base_hooks.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:342:13: - - 342 | IF (need_xc) THEN - | ^ -Warning: 'need_xc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:137:75: - - 137 | need_x, need_xc, need_zmp - | ^ -note: 'need_xc' was declared here -/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:322:13: - - 322 | IF (need_x) THEN - | ^ -Warning: 'need_x' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F:137:66: - - 137 | need_x, need_xc, need_zmp - | ^ -note: 'need_x' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_localization_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cell_types.mod cp_log_handling.mod cp_external_control.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod mathconstants.mod cp_cfm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod kahan_sum.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod matrix_exp.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F qs_localization_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_localization_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qs_energy_types.mod qs_environment_types.mod fist_energy_types.mod qmmm_types_low.mod fist_environment_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_types.F qmmm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dispersion_pairpot.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_dispersion_types.mod cp_parser_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod atprop_types.mod input_section_types.mod virial_methods.mod bibliography.mod cp_files.mod memory_utilities.mod cp_parser_methods.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_potentials.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_potentials.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod mathconstants.mod kinds.mod ao_util.mod ai_overlap.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_potentials.F pao_potentials.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_linpot_full.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_linpot_full.F pao_linpot_full.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dispersion_pairpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_potentials.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_linpot_rotinv.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod mathconstants.mod kinds.mod ai_overlap.mod orbital_pointers.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_linpot_full.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_collocate_density.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod realspace_grid_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod external_potential_types.mod lri_environment_types.mod admm_types.mod pw_pool_types.mod particle_types.mod cell_types.mod cp_fm_types.mod cp_dbcsr_operations.mod memory_utilities.mod task_list_methods.mod rs_pw_interface.mod pw_methods.mod gaussian_gridlevels.mod grid_api.mod message_passing.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F qs_collocate_density.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho_atom_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod cp_para_types.mod paw_proj_set_types.mod kpoint_types.mod sap_kind_types.mod spherical_harmonics.mod lebedev.mod qs_oce_methods.mod qs_harmonics_atom.mod memory_utilities.mod whittaker.mod mathconstants.mod util.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_linpot_rotinv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_collocate_density.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dkh_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/dkh_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod cp_fm_diag.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dkh_main.F dkh_main.F90 /build/reproducible-path/cp2k-2023.1/src/qs_mo_io.F:1300:56: 1300 | (cmatrix(irow, jcol), jcol=from, to) @@ -57050,6 +57105,239 @@ 1027 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix | ^ note: 'cmatrix.dim[1].stride' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho_atom_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mo_methods.mod' due to: qs_mo_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_mo_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod admm_types.mod cp_para_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_mo_occupation.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_diag.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dkh_main.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_methods.mod' due to: kpoint_methods.o /build/reproducible-path/cp2k-2023.1/src/kpoint_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_mo_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_matrix_pools.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod memory_utilities.mod mathconstants.mod util.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod fermi_utils.mod cryssym.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mixing_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod pw_types.mod distribution_1d_types.mod qs_rho_atom_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod qs_scf_methods.mod cp_dbcsr_cp2k_link.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F qs_mixing_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod orbital_pointers.mod message_passing.mod particle_methods.mod cp_log_handling.mod machine.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_integrate_potential_single.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod realspace_grid_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod external_potential_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod atprop_types.mod memory_utilities.mod rs_pw_interface.mod gaussian_gridlevels.mod grid_api.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mixing_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_single.F90 +/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:119:76: + + 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab + | ^ +Warning: 'new_block_d.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:231:83: + + 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) + | ^ +Warning: 'new_block_d.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:119:76: + + 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab + | ^ +note: 'new_block_d.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:231:83: + + 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) + | ^ +Warning: 'new_block_d.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:119:76: + + 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab + | ^ +note: 'new_block_d.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:119:76: Warning: 'new_block_d.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/dkh_main.F:101:37: + + 101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) + | ^ +Warning: 'dkh_full_transformation' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/dkh_main.F:713:20: + + 713 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg) + | ^ +Warning: 'even4a' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_integrate_potential_product.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod realspace_grid_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod virial_types.mod admm_types.mod particle_types.mod cell_types.mod cp_dbcsr_operations.mod task_list_methods.mod rs_pw_interface.mod gaussian_gridlevels.mod grid_api.mod message_passing.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_product.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F:2127:10: + + 2127 | IF (distributed_rs_grids) THEN + | ^ +Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F:2027:99: + + 2027 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & + | ^ +note: 'distributed_rs_grids' was declared here +/build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F:247:10: + + 247 | IF (print_sym) THEN + | ^ +Warning: 'print_sym' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F:181:86: + + 181 | LOGICAL :: my_omit_headers, print_sym + | ^ +note: 'print_sym' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F:1753:10: + + 1753 | IF (distributed_rs_grids) THEN + | ^ +Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F:1650:99: + + 1650 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & + | ^ +note: 'distributed_rs_grids' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'moments_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/moments_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod distribution_1d_types.mod cp_para_types.mod fist_environment_types.mod base_hooks.mod message_passing.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/moments_utils.F moments_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_operators_ao.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod orbital_pointers.mod cp_log_handling.mod ai_os_rr.mod mathconstants.mod ai_moments.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F qs_operators_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' moments_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_operators_ao.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1654:33: + + 1654 | e8tot = e8tot - e8 + | ^ +Warning: 'e8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1265:88: + + 1265 | de921, de922, dea, devdw, dfdab6, dfdab8, dfdabc, dfdmp, dr, drk, e6, e6tot, e8, e8tot, & + | ^ +note: 'e8' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1653:33: + + 1653 | e6tot = e6tot - e6 + | ^ +Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1265:77: + + 1265 | de921, de922, dea, devdw, dfdab6, dfdab8, dfdabc, dfdmp, dr, drk, e6, e6tot, e8, e8tot, & + | ^ +note: 'e6' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1672:53: + + 1672 | fdij(:) = (de6 + de8)*rij(:)/dr*fac + | ^ +Warning: 'de8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1264:87: + + 1264 | dc8a, dc8b, dcc6aba, dcc6abb, dcc6bcb, dcc6bcc, dcc6caa, dcc6cac, dd, de6, de8, de91, & + | ^ +note: 'de8' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1672:53: + + 1672 | fdij(:) = (de6 + de8)*rij(:)/dr*fac + | ^ +Warning: 'de6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1264:82: + + 1264 | dc8a, dc8b, dcc6aba, dcc6abb, dcc6bcb, dcc6bcc, dcc6caa, dcc6cac, dd, de6, de8, de91, & + | ^ +note: 'de6' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1844:117: + + 1844 | force(jkind)%dispersion(:, atom_b) = force(jkind)%dispersion(:, atom_b) + fdij(:) + | ^ +Warning: 'atom_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1254:31: + + 1254 | INTEGER :: atom_a, atom_b, atom_c, atom_d, handle, hashb, hashc, i, ia, iat, iatom, icx, & + | ^ +note: 'atom_b' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1843:117: + + 1843 | force(ikind)%dispersion(:, atom_a) = force(ikind)%dispersion(:, atom_a) - fdij(:) + | ^ +Warning: 'atom_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1254:23: + + 1254 | INTEGER :: atom_a, atom_b, atom_c, atom_d, handle, hashb, hashc, i, ia, iat, iatom, icx, & + | ^ +note: 'atom_a' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1628:19: + + 1628 | IF (idmp == 1) THEN + | ^ +Warning: 'alp8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1263:41: + + 1263 | REAL(KIND=dp) :: a1, a2, alp6, alp8, ang, c6, c8, c9, cc6ab, cc6bc, cc6ca, cnum, dc6a, dc6b, & + | ^ +note: 'alp8' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1628:19: + + 1628 | IF (idmp == 1) THEN + | ^ +Warning: 'alp6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1263:35: + + 1263 | REAL(KIND=dp) :: a1, a2, alp6, alp8, ang, c6, c8, c9, cc6ab, cc6bc, cc6ca, cnum, dc6a, dc6b, & + | ^ +note: 'alp6' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:2055:111: + + 2055 | elrc9 = elrc9 - s9*64._dp*twopi*REAL(na*nb*nc, KIND=dp)*c9/(6._dp*rcut**3*cell%deth**2) + | ^ +Warning: 's9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1268:68: + + 1268 | rabc, rc2, rcc, rcut, rs6, rs8, s1, s2, s3, s6, s8, s8i, s9, srbe, ssrb, t1srb, t2srb, xp + | ^ +note: 's9' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1694:27: + + 1694 | ELSE IF (idmp == 2) THEN + | ^ +Warning: 'idmp' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1255:23: + + 1255 | icy, icz, idmp, ikind, ilist, imol, jatom, jkind, katom, kkind, kstart, latom, lkind, & + | ^ +note: 'idmp' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:2159:10: + + 2159 | IF (domol) THEN + | ^ +Warning: 'domol' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1260:67: + + 1260 | LOGICAL :: atenergy, atstress, debug, debugall, debugx, domol, exclude_pair, floating_a, & + | ^ +note: 'domol' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1605:68: + + 1605 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac + | ^ +Warning: 'atener.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1275:66: + + 1275 | REAL(KIND=dp), DIMENSION(:), POINTER :: atener + | ^ +note: 'atener.dim[0].stride' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1605:68: + + 1605 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac + | ^ +Warning: 'atener.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1275:66: + + 1275 | REAL(KIND=dp), DIMENSION(:), POINTER :: atener + | ^ +note: 'atener.offset' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1605:68: + + 1605 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac + | ^ +Warning: 'atener.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1275:66: + + 1275 | REAL(KIND=dp), DIMENSION(:), POINTER :: atener + | ^ +note: 'atener.data' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb3_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod qs_energy_types.mod qs_kind_types.mod virial_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod sap_kind_types.mod atprop_types.mod virial_methods.mod message_passing.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb3_methods.F90 /build/reproducible-path/cp2k-2023.1/src/commutator_rpnl.F:276:91: 276 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab) @@ -57248,45 +57536,283 @@ 93 | REAL(KIND=dp) :: dac, ppnl_radius | ^ note: 'ppnl_radius' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_environment_types.mod' due to: qs_environment_types.o /build/reproducible-path/cp2k-2023.1/src/qs_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_wf_history_types.mod scf_control_types.mod global_types.mod qs_energy_types.mod transport_env_types.mod fist_nonbond_env_types.mod virial_types.mod qs_oce_types.mod qs_gcp_types.mod qs_rho_types.mod almo_scf_types.mod hfx_types.mod qs_dispersion_types.mod qs_mo_types.mod cp_result_types.mod atprop_types.mod qs_active_space_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod exstates_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod semi_empirical_mpole_types.mod rel_control_types.mod pw_env_types.mod cp_fm_types.mod molecule_types.mod kg_environment_types.mod qs_ks_types.mod hartree_local_types.mod cp_subsys_types.mod et_coupling_types.mod lri_environment_types.mod qmmm_types_low.mod qs_dftb_types.mod qs_neighbor_list_types.mod mscfg_types.mod qs_subsys_types.mod qs_period_efield_types.mod qs_rho0_types.mod qs_scf_types.mod xas_env_types.mod task_list_types.mod dm_ls_scf_types.mod mp2_types.mod input_section_types.mod wannier_states_types.mod cp_ddapc_types.mod ewald_pw_types.mod qs_linres_types.mod qs_charges_types.mod qs_rho_atom_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod admm_types.mod particle_types.mod kpoint_types.mod semi_empirical_store_int_types.mod distribution_2d_types.mod pw_types.mod rt_propagation_types.mod input_constants.mod kinds.mod cp_blacs_env.mod qs_matrix_pools.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_electronic_structure.mod' due to: atom_electronic_structure.o /build/reproducible-path/cp2k-2023.1/src/atom_electronic_structure.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_xc.mod atom_optimization.mod input_constants.mod atom_output.mod atom_utils.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dkh_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/dkh_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_environment_types.mod cp_fm_struct.mod cp_fm_cholesky.mod parallel_gemm_api.mod physcon.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dkh_main.F dkh_main.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_sccs.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_sccs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod cp_subsys_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod pw_pool_types.mod particle_list_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_realspace_grid_init.mod cp_units.mod input_constants.mod kinds.mod mathconstants.mod pw_poisson_methods.mod message_passing.mod kahan_sum.mod base_hooks.mod cp_realspace_grid_cube.mod rs_methods.mod +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1497:13: + + 1497 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1355:38: + + 1355 | jkind, jpgf, jset, last_jatom, lda_min, ldab, ldb_min, ldsa, ldsb, ldwork, M_dim, maxl, & + | ^ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1492:63: + + 1492 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lzo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1362:99: + + 1362 | REAL(KIND=dp) :: alpha, alpha_der, dab, Lxo2, Lyo2, Lzo2, & + | ^ +note: 'lzo2' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1492:63: + + 1492 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lyo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1362:93: + + 1362 | REAL(KIND=dp) :: alpha, alpha_der, dab, Lxo2, Lyo2, Lzo2, & + | ^ +note: 'lyo2' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1492:63: + + 1492 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lxo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1362:87: + + 1362 | REAL(KIND=dp) :: alpha, alpha_der, dab, Lxo2, Lyo2, Lzo2, & + | ^ +note: 'lxo2' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F:228:66: + + 228 | ALLOCATE (mixing_store%dfbroy(na, max_shell, nbuffer)) + | ^ +Warning: 'max_shell' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F:124:69: + + 124 | max_shell, na, natom, nbuffer, nel, & + | ^ +note: 'max_shell' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_tb_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod distribution_1d_types.mod cp_control_types.mod qs_energy_types.mod ewald_pw_types.mod virial_types.mod qmmm_types_low.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod mathconstants.mod message_passing.mod kinds.mod base_hooks.mod ewald_methods_tb.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_coulomb.F qmmm_tb_coulomb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod pw_spline_utils.mod spherical_harmonics.mod message_passing.mod mathconstants.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1215:13: + + 1215 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1093:19: + + 1093 | last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, & + | ^ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1210:63: + + 1210 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lzo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1100:81: + + 1100 | REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2 + | ^ +note: 'lzo2' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1210:63: + + 1210 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lyo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1100:75: + + 1100 | REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2 + | ^ +note: 'lyo2' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1210:63: + + 1210 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lxo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1100:69: + + 1100 | REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2 + | ^ +note: 'lxo2' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_tb_coulomb.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:502:115: + + 502 | MATMUL(TRANSPOSE(sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1)), work(1:ncoa, 1:nsgfb(jset))) + | ^ +Warning: 'sgfb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:122:80: + + 122 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb + | ^ +note: 'sgfb' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:122:29: + + 122 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb + | ^ +Warning: 'ncob' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:507:115: + + 507 | MATMUL(TRANSPOSE(sphi_b(1:ncob, sgfb:sgfb + nsgfb(jset) - 1)), work(1:ncob, 1:nsgfa(iset))) + | ^ +Warning: 'sgfa' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:122:74: + + 122 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb + | ^ +note: 'sgfa' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:122:23: + + 122 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb + | ^ +Warning: 'ncoa' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_qmmm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qmmm_types_low.mod qs_environment_types.mod pw_types.mod cp_control_types.mod qs_ks_qmmm_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod cube_utils.mod kinds.mod pw_methods.mod input_constants.mod d3_poly.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc_forces.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:939:13: + + 939 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:824:97: + + 824 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:936:63: + + 936 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lzo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:830:88: + + 830 | REAL(KIND=dp) :: alpha, dab, Lxo2, Lyo2, Lzo2, rab2 + | ^ +note: 'lzo2' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:936:63: + + 936 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lyo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:830:82: + + 830 | REAL(KIND=dp) :: alpha, dab, Lxo2, Lyo2, Lzo2, rab2 + | ^ +note: 'lyo2' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:936:63: + + 936 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE + | ^ +Warning: 'lxo2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:830:76: + + 830 | REAL(KIND=dp) :: alpha, dab, Lxo2, Lyo2, Lzo2, rab2 + | ^ +note: 'lxo2' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod kpoint_types.mod lri_environment_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod virial_types.mod base_hooks.mod virial_methods.mod lri_integrals.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_forces.F lri_forces.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:554:13: + + 554 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:450:97: + + 450 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^ +note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_forces.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'efield_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/efield_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qs_energy_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_force_types.mod qs_rho_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod kahan_sum.mod mathconstants.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/efield_utils.F efield_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho0_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod qs_local_rho_types.mod input_section_types.mod qs_oce_methods.mod qs_harmonics_atom.mod memory_utilities.mod mathconstants.mod cp_log_handling.mod kinds.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod orbital_transformation_matrices.mod qs_grid_atom.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F qs_rho0_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' efield_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_rho_atom_types.mod qs_oce_types.mod basis_set_types.mod cp_control_types.mod qs_nl_hash_table_types.mod qs_kind_types.mod virial_types.mod cp_para_types.mod kpoint_types.mod sap_kind_types.mod cp_array_utils.mod qs_oce_methods.mod virial_methods.mod util.mod message_passing.mod kinds.mod base_hooks.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_atom.F qs_ks_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho0_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:187:13: + + 187 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:79:97: + + 79 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_vxc_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_linres_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod cp_para_types.mod paw_proj_set_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod input_section_types.mod qs_harmonics_atom.mod memory_utilities.mod xc_derivatives.mod util.mod message_passing.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod xc_atom.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F qs_vxc_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_vxc_atom.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix_exchange.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod multipole_types.mod cp_control_types.mod semi_empirical_store_int_types.mod qs_kind_types.mod semi_empirical_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod se_fock_matrix_integrals.mod virial_methods.mod semi_empirical_utils.mod kinds.mod input_constants.mod base_hooks.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod multipole_types.mod distribution_1d_types.mod cp_control_types.mod semi_empirical_store_int_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod semi_empirical_types.mod virial_types.mod semi_empirical_mpole_types.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod atprop_types.mod ewald_environment_types.mod input_section_types.mod se_fock_matrix_integrals.mod ewalds_multipole.mod virial_methods.mod cp_dbcsr_operations.mod semi_empirical_int_arrays.mod semi_empirical_mpole_methods.mod fist_neighbor_list_control.mod message_passing.mod semi_empirical_utils.mod cp_log_handling.mod semi_empirical_integrals.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix_exchange.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_core_energies.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_core_energies.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qs_energy_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod distribution_1d_types.mod atprop_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod virial_methods.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_core_energies.F qs_core_energies.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix_coulomb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'surface_dipole.o' due to: /build/reproducible-path/cp2k-2023.1/src/surface_dipole.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod qs_subsys_types.mod pw_env_types.mod qs_energy_types.mod cell_types.mod qs_environment_types.mod qs_rho_types.mod pw_grid_types.mod pw_types.mod cp_control_types.mod base_hooks.mod message_passing.mod kahan_sum.mod mathconstants.mod pw_methods.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/surface_dipole.F surface_dipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_core_energies.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hartree_local_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod qs_rho_atom_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod hartree_local_types.mod qs_charges_types.mod cp_para_types.mod pw_poisson_types.mod qs_local_rho_types.mod cell_types.mod atprop_types.mod qs_harmonics_atom.mod mathconstants.mod util.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hartree_local_methods.F hartree_local_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' surface_dipole.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F:193:74: + + 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as + | ^ +Warning: 'cpc_as.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F:193:66: + + 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as + | ^ +Warning: 'cpc_ah.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_localization_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cell_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_external_control.mod cp_dbcsr_operations.mod cp_cfm_basic_linalg.mod mathconstants.mod message_passing.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod matrix_exp.mod qs_mo_methods.mod kinds.mod base_hooks.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F qs_localization_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hartree_local_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_localization_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:524:10: + + 524 | IF (distributed_grids) THEN + | ^ +Warning: 'distributed_grids' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:127:84: + + 127 | LOGICAL :: atom_pair_changed, atom_pair_done, dh_duplicated, distributed_grids, found, & + | ^ +note: 'distributed_grids' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_neighbor_lists.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_dispersion_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod qs_gcp_types.mod qs_kind_types.mod external_potential_types.mod qs_dftb_types.mod xtb_types.mod cp_para_types.mod almo_scf_types.mod paw_proj_set_types.mod kpoint_types.mod particle_types.mod cell_types.mod subcell_types.mod distribution_2d_types.mod ewald_environment_types.mod input_section_types.mod string_utilities.mod cp_units.mod qs_dftb_utils.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod periodic_table.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F qs_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_neighbor_lists.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_communication.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_communication.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod qs_environment_types.mod hfx_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_communication.F hfx_communication.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_communication.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_screening_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_environment_types.mod qs_kind_types.mod hfx_types.mod base_hooks.mod hfx_libint_interface.mod powell.mod ao_util.mod machine.mod libint_wrapper.mod kinds.mod orbital_pointers.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_screening_methods.F hfx_screening_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_adiabatic_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_environment_types.mod qs_mo_types.mod base_hooks.mod mathconstants.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_screening_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_sccs.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_sccs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod realspace_grid_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod qs_scf_types.mod cp_para_types.mod cp_subsys_types.mod pw_pool_types.mod pw_poisson_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod rs_methods.mod cp_realspace_grid_init.mod cp_units.mod mathconstants.mod pw_methods.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_sccs.F qs_sccs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dkh_main.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod preconditioner_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod cp_dbcsr_operations.mod preconditioner_makes.mod input_constants.mod preconditioner_apply.mod cp_blacs_env.mod kinds.mod base_hooks.mod preconditioner_solvers.mod qs_mo_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner.F preconditioner.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_sccs.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_collocate_density.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_pool_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod admm_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod cp_dbcsr_operations.mod ao_util.mod rs_pw_interface.mod input_constants.mod kinds.mod gaussian_gridlevels.mod task_list_methods.mod memory_utilities.mod grid_api.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F qs_collocate_density.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_potentials.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_potentials.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_environment_types.mod qs_kind_types.mod mathlib.mod ao_util.mod ai_overlap.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_potentials.F pao_potentials.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_collocate_density.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:2866:71: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_adiabatic_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_sccs.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F:1316:43: - 2866 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 - | ^ -Warning: 'ip_has_i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_linpot_rotinv.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_environment_types.mod qs_kind_types.mod mathlib.mod ai_overlap.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:2481:96: + 1316 | IF (mol_a /= mol_b) CYCLE + | ^ +Warning: 'mol_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F:1024:43: - 2481 | INTEGER :: i, idim, ii, ik, il1, il2, il_recv, il_recv_partner, ilow1, ilow2, ip, ip_has_i, & - | ^ -note: 'ip_has_i' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:2488:64: + 1024 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry + | ^ +note: 'mol_b' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F:1148:53: - 2488 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send - | ^ -Warning: 'gmat.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:2488:64: Warning: 'gmat.offset' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_potentials.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_linpot_full.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_environment_types.mod qs_kind_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_linpot_full.F pao_linpot_full.F90 + 1148 | CPABORT("") + | ^ +Warning: 'otype' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F:1024:57: + + 1024 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry + | ^ +note: 'otype' was declared here /build/reproducible-path/cp2k-2023.1/src/qs_sccs.F:335:41: 335 | filename = mpi_filename @@ -57302,7 +57828,6 @@ 687 | filename = mpi_filename | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_linpot_rotinv.F90 /build/reproducible-path/cp2k-2023.1/src/qs_sccs.F:754:41: 754 | filename = mpi_filename @@ -57313,32 +57838,45 @@ 788 | filename = mpi_filename | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/src/dkh_main.F:101:37: +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mo_io.mod' due to: qs_mo_io.o /build/reproducible-path/cp2k-2023.1/src/qs_mo_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod basis_set_types.mod qs_kind_types.mod qs_mo_types.mod qs_dftb_types.mod cp_para_types.mod particle_types.mod input_section_types.mod cp_dbcsr_operations.mod cp_files.mod qs_dftb_utils.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod physcon.mod qs_mo_occupation.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod orbital_transformation_matrices.mod orbital_symbols.mod qs_density_matrices.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod xc_rho_set_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod xc_derivative_set_types.mod qs_rho_types.mod input_section_types.mod qs_matrix_pools.mod cp_dbcsr_operations.mod xc.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_methods.F ec_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F:688:46: - 101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) - | ^ -Warning: 'dkh_full_transformation' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/dkh_main.F:713:20: + 688 | ALLOCATE (forces_g(3, forces_g_size)) + | ^ +Warning: 'forces_g_size' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F:494:50: - 713 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg) - | ^ -Warning: 'even4a' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gspace_mixing.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod pw_env_types.mod qs_rho_types.mod pw_pool_types.mod pw_types.mod qs_rho_atom_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod mathlib.mod message_passing.mod kinds.mod pw_methods.mod base_hooks.mod + 494 | INTEGER :: atom_a, ewald_type, forces_g_size, handle, iatom, ikind, ilist, indi, indj, & + | ^ +note: 'forces_g_size' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:2866:71: + + 2866 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 + | ^ +Warning: 'ip_has_i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:2481:96: + + 2481 | INTEGER :: i, idim, ii, ik, il1, il2, il_recv, il_recv_partner, ilow1, ilow2, ip, ip_has_i, & + | ^ +note: 'ip_has_i' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:2488:64: + + 2488 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send + | ^ +Warning: 'gmat.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:2488:64: Warning: 'gmat.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_diis.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_diis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod dm_ls_scf_types.mod qs_diis_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod string_utilities.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod cp_dbcsr_operations.mod mathlib.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_diis.F qs_diis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gspace_mixing.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qs_density_mixing_types.mod qs_environment_types.mod qs_rho_types.mod pw_types.mod qs_rho_atom_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod kinds.mod pw_methods.mod mathlib.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F qs_gspace_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_linpot_full.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mixing_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod qs_rho_types.mod qs_rho_atom_types.mod pw_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod cp_dbcsr_operations.mod qs_scf_methods.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F qs_mixing_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gspace_mixing.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho_atom_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod sap_kind_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod paw_proj_set_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod kpoint_types.mod qs_oce_methods.mod kinds.mod mathconstants.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod util.mod message_passing.mod whittaker.mod lebedev.mod orbital_pointers.mod base_hooks.mod spherical_harmonics.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mixing_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho_atom_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hartree_local_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod hartree_local_types.mod qs_environment_types.mod qs_rho0_types.mod qs_rho_atom_types.mod qs_charges_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod kinds.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hartree_local_methods.F hartree_local_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod sap_kind_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod kpoint_types.mod qs_nl_hash_table_types.mod qs_oce_methods.mod ao_util.mod kinds.mod cp_array_utils.mod util.mod message_passing.mod virial_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_atom.F qs_ks_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hartree_local_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_diis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gspace_mixing.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod basis_set_types.mod qs_kind_types.mod qs_scf_types.mod qs_dftb_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod input_section_types.mod cp_dbcsr_operations.mod cp_files.mod qs_dftb_utils.mod message_passing.mod cp_log_handling.mod kinds.mod qs_mo_io.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kpoint_io.F kpoint_io.F90 /build/reproducible-path/cp2k-2023.1/src/qs_sccs.F:1153:81: 1153 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) @@ -57389,77 +57927,72 @@ 880 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & | ^ note: 'dq' was declared here -/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:119:76: - - 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab - | ^ -Warning: 'new_block_d.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:231:83: - - 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) - | ^ -Warning: 'new_block_d.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:119:76: - - 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab - | ^ -note: 'new_block_d.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:231:83: - - 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) - | ^ -Warning: 'new_block_d.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:119:76: - - 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab - | ^ -note: 'new_block_d.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/src/pao_potentials.F:119:76: Warning: 'new_block_d.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F:2127:10: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_io.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gcp_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cp_parser_types.mod qs_environment_types.mod qs_gcp_types.mod qs_kind_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod sto_ng.mod periodic_table.mod cp_parser_methods.mod mathconstants.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gcp_utils.F qs_gcp_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_environment_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_environment_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod input_section_types.mod cp_control_types.mod generic_shg_integrals_init.mod base_hooks.mod generic_shg_integrals.mod mathconstants.mod kinds.mod ao_util.mod bibliography.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_environment_init.F lri_environment_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gcp_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_dispersion_types.mod qs_environment_types.mod dielectric_types.mod ps_wavelet_types.mod qs_rho0_types.mod realspace_grid_types.mod cp_control_types.mod basis_set_types.mod ps_implicit_types.mod qs_kind_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod cell_types.mod pw_grid_types.mod input_section_types.mod pw_poisson_methods.mod cube_utils.mod cp_realspace_grid_init.mod d3_poly.mod pw_grid_info.mod gaussian_gridlevels.mod dct.mod cp_log_handling.mod kinds.mod input_constants.mod pw_grids.mod cp_output_handling.mod base_hooks.mod pw_poisson_read_input.mod xc_input_constants.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F pw_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_environment_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_matrix_w.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod kpoint_methods.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod almo_scf_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_matrix_w.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F:1057:45: - 2127 | IF (distributed_rs_grids) THEN - | ^ -Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F:2027:99: + 1057 | 1, (/-1, -1, -1/)) + | ^ +Warning: 'border_points' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F:1039:73: - 2027 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & - | ^ -note: 'distributed_rs_grids' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_vxc_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod xc_derivative_set_types.mod atomic_kind_types.mod qs_environment_types.mod input_section_types.mod paw_proj_set_types.mod qs_linres_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_atom.mod xc_derivatives.mod input_constants.mod kinds.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod util.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F qs_vxc_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_vxc_atom.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F:1753:10: + 1039 | INTEGER :: border_points, handle + | ^ +note: 'border_points' declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'voronoi_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod bibliography.mod cp_files.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F voronoi_interface.F90 +/build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F:826:16: - 1753 | IF (distributed_rs_grids) THEN - | ^ -Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F:1650:99: + 826 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) + | ^ +Warning: 'igrid_zet0_s' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F:780:67: - 1650 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & - | ^ -note: 'distributed_rs_grids' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_qmmm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod qmmm_types_low.mod qs_environment_types.mod pw_env_types.mod input_section_types.mod pw_pool_types.mod cp_control_types.mod qs_ks_qmmm_types.mod cp_log_handling.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod d3_poly.mod pw_methods.mod cube_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:35:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod xc_derivative_set_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod xc_rho_set_types.mod pw_types.mod xc.mod cp_log_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_blacs_env.mod qs_matrix_pools.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_methods.F ec_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod virial_types.mod qs_o3c_types.mod qs_ks_types.mod kpoint_types.mod lri_environment_types.mod qs_neighbor_list_types.mod virial_methods.mod lri_integrals.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_forces.F lri_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_forces.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod pw_spline_utils.mod mathconstants.mod input_constants.mod kinds.mod spherical_harmonics.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc_forces.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F:228:66: + 780 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, & + | ^ +note: 'igrid_zet0_s' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' voronoi_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod shell_potential_types.mod cp_control_types.mod atomic_kind_list_types.mod pair_potential_types.mod external_potential_types.mod molecule_kind_types.mod cp_para_types.mod qmmm_types_low.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod force_field_types.mod input_section_types.mod cp_eri_mme_interface.mod qmmm_per_elpot.mod cp_units.mod qmmm_ff_fist.mod qmmm_gaussian_init.mod cell_methods.mod qmmm_elpot.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod force_fields_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_init.F qmmm_init.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dos.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dos.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kpoint_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod input_section_types.mod qs_mo_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dos.F qs_dos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dos.F90 +/build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F:74:24: - 228 | ALLOCATE (mixing_store%dfbroy(na, max_shell, nbuffer)) - | ^ -Warning: 'max_shell' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F:124:69: + 74 | INTEGER :: step_count = 0 + | 1 +Warning: Unused PRIVATE module variable 'step_count' declared at (1) [-Wunused-value] +/build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F:846:34: - 124 | max_shell, na, natom, nbuffer, nel, & - | ^ -note: 'max_shell' was declared here + 846 | SUBROUTINE molecular_properties(subsys, cell, sim_step, sim_time, iounit, & + | ^ +Warning: 'molecular_properties' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_csr_write.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod base_hooks.mod cp_dbcsr_cp2k_link.mod cp_log_handling.mod kpoint_methods.mod kinds.mod cp_dbcsr_operations.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F qs_scf_csr_write.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_wfn_mix.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod qs_scf_types.mod qs_kind_types.mod qs_mo_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_fm_basic_linalg.mod qs_mo_methods.mod kinds.mod qs_mo_io.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:33 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_csr_write.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod basis_set_container_types.mod cp_fm_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod lapack.mod qs_interactions.mod message_passing.mod kinds.mod iterate_matrix.mod input_constants.mod base_hooks.mod cp_fm_struct.mod kpoint_methods.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_methods.F mao_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'wannier_states.o' due to: /build/reproducible-path/cp2k-2023.1/src/wannier_states.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod wannier_states_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_units.mod cp_fm_struct.mod cp_log_handling.mod kinds.mod cp_dbcsr_operations.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/wannier_states.F wannier_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_wfn_mix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_methods.F90 /build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:452:28: 452 | alpha_c = 0.0_dp @@ -57475,162 +58008,85 @@ 303 | inv_err, norm, norm_c_inv, res_norm, & | ^ Warning: 'norm_c_inv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_tb_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qmmm_types_low.mod ewald_pw_types.mod distribution_1d_types.mod cell_types.mod particle_types.mod kinds.mod mathconstants.mod message_passing.mod ewald_methods_tb.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_coulomb.F qmmm_tb_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_tb_coulomb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb3_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod atprop_types.mod sap_kind_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod kinds.mod message_passing.mod virial_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb3_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_core_energies.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_core_energies.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod qs_energy_types.mod atomic_kind_types.mod virial_types.mod particle_types.mod atprop_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_para_types.mod message_passing.mod virial_methods.mod mathconstants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_core_energies.F qs_core_energies.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_core_energies.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'surface_dipole.o' due to: /build/reproducible-path/cp2k-2023.1/src/surface_dipole.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod qs_energy_types.mod cell_types.mod pw_env_types.mod qs_rho_types.mod pw_pool_types.mod pw_types.mod qs_environment_types.mod pw_grid_types.mod cp_control_types.mod pw_methods.mod message_passing.mod kahan_sum.mod mathconstants.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/surface_dipole.F surface_dipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' surface_dipole.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_neighbor_lists.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_gcp_types.mod xtb_types.mod almo_scf_types.mod qs_dispersion_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_ks_types.mod qs_dftb_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod paw_proj_set_types.mod distribution_1d_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod subcell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod qs_dftb_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod string_utilities.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod util.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F qs_neighbor_lists.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_neighbor_lists.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_adiabatic_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_mo_types.mod qs_environment_types.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_adiabatic_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_screening_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod hfx_types.mod qs_environment_types.mod qs_kind_types.mod powell.mod libint_wrapper.mod ao_util.mod machine.mod orbital_pointers.mod kinds.mod base_hooks.mod hfx_libint_interface.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_screening_methods.F hfx_screening_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_screening_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_communication.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_communication.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod hfx_types.mod particle_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_communication.F hfx_communication.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod semi_empirical_mpole_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod multipole_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod semi_empirical_store_int_types.mod cp_log_handling.mod cp_output_handling.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod ewalds_multipole.mod semi_empirical_mpole_methods.mod semi_empirical_integrals.mod message_passing.mod se_fock_matrix_integrals.mod virial_methods.mod fist_neighbor_list_control.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_communication.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix_exchange.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod multipole_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod semi_empirical_store_int_types.mod input_constants.mod kinds.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod se_fock_matrix_integrals.mod virial_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix_exchange.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'efield_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/efield_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod atomic_kind_types.mod qs_energy_types.mod cell_types.mod qs_rho_types.mod particle_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod kahan_sum.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/efield_utils.F efield_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:614:12: - - 614 | lsr, miniter, nao, ndummy, nocc, norextra, northo, nstate, unit_nr - | ^ -Warning: 'lsr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:613:95: - - 613 | INTEGER :: dim2, handle, icinit, idim, istate, line_search_count, line_searches, lsl, lsm, & - | ^ -Warning: 'lsm' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:613:90: - - 613 | INTEGER :: dim2, handle, icinit, idim, istate, line_search_count, line_searches, lsl, lsm, & - | ^ -Warning: 'lsl' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_diis.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_diis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod qs_diis_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod string_utilities.mod parallel_gemm_api.mod cp_log_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_diis.F qs_diis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' efield_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_diis.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:724:109: - - 724 | mixing_store%res_buffer(ib, ispin)%cc(:) = mixing_store%res_buffer(ib, ispin)%cc(:)/delta_norm - | ^ -Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:577:80: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' wannier_states.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_chargemol.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod qs_kind_types.mod qs_mo_types.mod qs_scf_types.mod kpoint_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod cp_dbcsr_operations.mod cp_files.mod cp_log_handling.mod kinds.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod orbital_transformation_matrices.mod periodic_table.mod orbital_symbols.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F qs_chargemol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_chargemol.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:420:62: - 577 | INTEGER :: handle, i, iatom, ib, ig, ispin, j, jb, & - | ^ -note: 'ib' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F:1316:43: + 420 | CALL dbcsr_add(cmatrix, tmatrix, cone, ione) + | ^ +Warning: 'tmatrix' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:338:91: - 1316 | IF (mol_a /= mol_b) CYCLE - | ^ -Warning: 'mol_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F:1024:43: + 338 | rmatrix, rmatrix_nosym, tmatrix + | ^ +note: 'tmatrix' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:418:57: - 1024 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry - | ^ -note: 'mol_b' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F:1148:53: + 418 | CALL dbcsr_copy(cmatrix, rmatrix_nosym) + | ^ +Warning: 'rmatrix_nosym' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:338:82: - 1148 | CPABORT("") - | ^ -Warning: 'otype' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F:1024:57: + 338 | rmatrix, rmatrix_nosym, tmatrix + | ^ +note: 'rmatrix_nosym' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:419:57: - 1024 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry + 419 | CALL dbcsr_copy(tmatrix, imatrix_nosym) | ^ -note: 'otype' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod almo_scf_types.mod qs_environment_types.mod cp_control_types.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pw_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod dielectric_types.mod qs_environment_types.mod qs_rho0_types.mod ps_wavelet_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod realspace_grid_types.mod ps_implicit_types.mod xc_input_constants.mod cp_log_handling.mod cp_output_handling.mod pw_poisson_read_input.mod cube_utils.mod cp_realspace_grid_init.mod ao_util.mod pw_grid_info.mod input_constants.mod dct.mod kinds.mod gaussian_gridlevels.mod pw_grids.mod pw_poisson_methods.mod d3_poly.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F pw_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pw_env_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_matrix_w.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_fm_types.mod qs_rho_types.mod qs_mo_types.mod kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod cp_fm_struct.mod kinds.mod kpoint_methods.mod qs_density_matrices.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_matrix_w.F90 -/build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F:1057:45: +Warning: 'imatrix_nosym' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:337:91: - 1057 | 1, (/-1, -1, -1/)) - | ^ -Warning: 'border_points' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F:1039:73: + 337 | TYPE(dbcsr_type), POINTER :: cmatrix, imatrix, imatrix_nosym, & + | ^ +note: 'imatrix_nosym' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:417:65: - 1039 | INTEGER :: border_points, handle - | ^ -note: 'border_points' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gcp_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod qs_kind_types.mod basis_set_types.mod input_section_types.mod qs_gcp_types.mod qs_environment_types.mod cp_para_types.mod cp_parser_methods.mod mathconstants.mod periodic_table.mod sto_ng.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gcp_utils.F qs_gcp_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gcp_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F:826:16: + 417 | CALL dbcsr_desymmetrize(imatrix, imatrix_nosym) + | ^ +Warning: 'imatrix' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:337:76: - 826 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) - | ^ -Warning: 'igrid_zet0_s' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F:780:67: + 337 | TYPE(dbcsr_type), POINTER :: cmatrix, imatrix, imatrix_nosym, & + | ^ +note: 'imatrix' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:423:67: - 780 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, & + 423 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr) | ^ -note: 'igrid_zet0_s' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod force_field_types.mod atomic_kind_types.mod pw_env_types.mod cp_subsys_types.mod qmmm_types_low.mod qs_environment_types.mod shell_potential_types.mod input_section_types.mod molecule_kind_types.mod particle_list_types.mod external_potential_types.mod cell_types.mod particle_types.mod pair_potential_types.mod atomic_kind_list_types.mod force_fields_input.mod qmmm_elpot.mod cp_log_handling.mod cp_output_handling.mod qmmm_gaussian_init.mod cp_units.mod input_constants.mod kinds.mod cell_methods.mod cp_eri_mme_interface.mod qmmm_ff_fist.mod base_hooks.mod qmmm_per_elpot.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_init.F qmmm_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod admm_types.mod particle_types.mod rt_propagation_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_overlap.mod kinds.mod mathconstants.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rt_propagation_forces.F rt_propagation_forces.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_core_core.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_core_core.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod input_constants.mod kinds.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_integrals.mod message_passing.mod virial_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_core_core.F se_core_core.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:18 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_forces.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod basis_set_container_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod kinds.mod cp_fm_diag.mod kpoint_methods.mod lapack.mod message_passing.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_interactions.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_methods.F mao_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F:688:46: - - 688 | ALLOCATE (forces_g(3, forces_g_size)) - | ^ -Warning: 'forces_g_size' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F:494:50: - - 494 | INTEGER :: atom_a, ewald_type, forces_g_size, handle, iatom, ikind, ilist, indi, indj, & - | ^ -note: 'forces_g_size' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_core_core.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_epr_hyp.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_rho_atom_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod pw_methods.mod periodic_table.mod kinds.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_epr_hyp.F qs_epr_hyp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_epr_hyp.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:787:68: +Warning: 'cmatrix' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:337:67: - 787 | REAL(dp), DIMENSION(:, :), POINTER :: rho_nlcc, weight - | ^ -Warning: 'rho_nlcc.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:787:68: Warning: 'rho_nlcc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:953:109: + 337 | TYPE(dbcsr_type), POINTER :: cmatrix, imatrix, imatrix_nosym, & + | ^ +note: 'cmatrix' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xray_diffraction.o' due to: /build/reproducible-path/cp2k-2023.1/src/xray_diffraction.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod paw_proj_set_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod bibliography.mod memory_utilities.mod mathconstants.mod pw_methods.mod util.mod message_passing.mod kinds.mod pw_grids.mod physcon.mod orbital_pointers.mod base_hooks.mod orbital_transformation_matrices.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xray_diffraction.F xray_diffraction.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_distribution_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod qs_fb_env_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod util.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xray_diffraction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_distribution_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_core_core.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_core_core.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod semi_empirical_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod atprop_types.mod ewald_environment_types.mod virial_methods.mod semi_empirical_int_arrays.mod message_passing.mod semi_empirical_utils.mod semi_empirical_integrals.mod kinds.mod input_constants.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_core_core.F se_core_core.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F:168:83: - 953 | ir, rho_nlcc(:, 1), rho0_h, rho0_s, rho_nlcc(:, 2), drho0_h, drho0_s) - | ^ -Warning: 'rho_nlcc.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:787:68: + 168 | extension=".wfx", my_local=.FALSE.) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_core_core.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_fb_distribution_methods.F:766:37: - 787 | REAL(dp), DIMENSION(:, :), POINTER :: rho_nlcc, weight - | ^ -note: 'rho_nlcc.data' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_chargemol.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_mo_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod machine.mod cp_dbcsr_operations.mod periodic_table.mod kinds.mod orbital_transformation_matrices.mod orbital_pointers.mod orbital_symbols.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F qs_chargemol.F90 + 766 | SUBROUTINE fb_distribution_move_el(dist_from, element, dist_to) + | ^ +Warning: 'fb_distribution_move_el' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gcp_method.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_neighbor_list_types.mod atprop_types.mod qs_gcp_types.mod qs_force_types.mod qs_kind_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod virial_methods.mod kinds.mod physcon.mod ai_overlap.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F qs_gcp_method.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_external_density.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_external_density.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod cell_types.mod qs_environment_types.mod qs_rho_types.mod pw_types.mod realspace_grid_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod message_passing.mod rs_pw_interface.mod kinds.mod pw_methods.mod cp_files.mod gaussian_gridlevels.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_external_density.F qs_external_density.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gcp_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_external_density.F90 /build/reproducible-path/cp2k-2023.1/src/se_core_core.F:213:53: 213 | dr3inv = -3.0_dp*rij*r3inv*r2inv @@ -57651,50 +58107,37 @@ 93 | enuclear, r2inv, r3inv, rinv | ^ note: 'r2inv' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_chargemol.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xray_diffraction.o' due to: /build/reproducible-path/cp2k-2023.1/src/xray_diffraction.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod paw_proj_set_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod physcon.mod pw_methods.mod kinds.mod pw_grids.mod mathconstants.mod memory_utilities.mod util.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xray_diffraction.F xray_diffraction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xray_diffraction.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F:168:83: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_external_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_external_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod particle_types.mod cell_types.mod pw_grid_types.mod input_section_types.mod force_fields_util.mod string_utilities.mod maxwell_solver_interface.mod message_passing.mod cp_log_handling.mod kinds.mod fparser.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_external_potential.F qs_external_potential.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:787:68: - 168 | extension=".wfx", my_local=.FALSE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:893:71: + 787 | REAL(dp), DIMENSION(:, :), POINTER :: rho_nlcc, weight + | ^ +Warning: 'rho_nlcc.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:787:68: Warning: 'rho_nlcc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:953:109: - 893 | COMPLEX(dp), ALLOCATABLE, DIMENSION(:) :: delta_res_p, res_rho, res_rho_p, tmp - | ^ -Warning: 'delta_res_p.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:901:76: + 953 | ir, rho_nlcc(:, 1), rho0_h, rho0_s, rho_nlcc(:, 2), drho0_h, drho0_s) + | ^ +Warning: 'rho_nlcc.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:787:68: - 901 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a, au, av, b, bq, work - | ^ -Warning: 'bq.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:1081:23: + 787 | REAL(dp), DIMENSION(:, :), POINTER :: rho_nlcc, weight + | ^ +note: 'rho_nlcc.data' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F:284:13: - 1081 | bq = 0.0_dp - | ^ -Warning: 'bq.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:901:76: + 284 | IF (use_virial) THEN + | ^ +Warning: 'use_virial' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F:75:90: - 901 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a, au, av, b, bq, work - | ^ -note: 'bq.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:901:76: Warning: 'bq.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'wannier_states.o' due to: /build/reproducible-path/cp2k-2023.1/src/wannier_states.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod input_section_types.mod wannier_states_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_units.mod parallel_gemm_api.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/wannier_states.F wannier_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' wannier_states.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dos.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dos.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_mo_types.mod kpoint_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dos.F qs_dos.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_csr_write.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_dbcsr_operations.mod cp_log_handling.mod cp_dbcsr_cp2k_link.mod kinds.mod kpoint_methods.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F qs_scf_csr_write.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_csr_write.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_external_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_external_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod input_section_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod force_fields_util.mod fparser.mod string_utilities.mod kinds.mod maxwell_solver_interface.mod message_passing.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_external_potential.F qs_external_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_external_potential.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_external_density.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_external_density.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod pw_env_types.mod input_section_types.mod qs_rho_types.mod realspace_grid_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod message_passing.mod rs_pw_interface.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod pw_methods.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_external_density.F qs_external_density.F90 + 75 | LOGICAL :: atenergy, atstress, use_virial, verbose + | ^ +note: 'use_virial' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_external_potential.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_epr_hyp.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod qs_harmonics_atom.mod mathconstants.mod pw_methods.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod periodic_table.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_epr_hyp.F qs_epr_hyp.F90 /build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F:490:75: 490 | pgf_type_chargemol(bcgf_symbol(icgf) (3:)) @@ -57745,116 +58188,90 @@ 92 | nrow_global, nset, nsgf, nspins, num_atoms, output_unit, roks_high, roks_low, tot_npgf | ^ note: 'roks_high' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_external_density.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gcp_method.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod atomic_kind_types.mod virial_types.mod cell_types.mod qs_gcp_types.mod particle_types.mod atprop_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_para_types.mod message_passing.mod virial_methods.mod ai_overlap.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F qs_gcp_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gcp_method.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_distribution_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod qs_fb_env_types.mod cell_types.mod input_section_types.mod particle_types.mod qs_fb_atomic_halo_types.mod qs_environment_types.mod cp_para_types.mod cp_log_handling.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:420:62: - - 420 | CALL dbcsr_add(cmatrix, tmatrix, cone, ione) - | ^ -Warning: 'tmatrix' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:338:91: - - 338 | rmatrix, rmatrix_nosym, tmatrix - | ^ -note: 'tmatrix' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:418:57: - - 418 | CALL dbcsr_copy(cmatrix, rmatrix_nosym) - | ^ -Warning: 'rmatrix_nosym' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:338:82: - - 338 | rmatrix, rmatrix_nosym, tmatrix - | ^ -note: 'rmatrix_nosym' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:419:57: - - 419 | CALL dbcsr_copy(tmatrix, imatrix_nosym) - | ^ -Warning: 'imatrix_nosym' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:337:91: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_mo_types.mod admm_types.mod particle_types.mod rt_propagation_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod mathconstants.mod qs_overlap.mod kinds.mod base_hooks.mod cp_fm_struct.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rt_propagation_forces.F rt_propagation_forces.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:724:109: - 337 | TYPE(dbcsr_type), POINTER :: cmatrix, imatrix, imatrix_nosym, & - | ^ -note: 'imatrix_nosym' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:417:65: + 724 | mixing_store%res_buffer(ib, ispin)%cc(:) = mixing_store%res_buffer(ib, ispin)%cc(:)/delta_norm + | ^ +Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:577:80: - 417 | CALL dbcsr_desymmetrize(imatrix, imatrix_nosym) - | ^ -Warning: 'imatrix' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:337:76: + 577 | INTEGER :: handle, i, iatom, ib, ig, ispin, j, jb, & + | ^ +note: 'ib' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:614:12: - 337 | TYPE(dbcsr_type), POINTER :: cmatrix, imatrix, imatrix_nosym, & - | ^ -note: 'imatrix' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:423:67: + 614 | lsr, miniter, nao, ndummy, nocc, norextra, northo, nstate, unit_nr + | ^ +Warning: 'lsr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:613:95: - 423 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr) - | ^ -Warning: 'cmatrix' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F:337:67: + 613 | INTEGER :: dim2, handle, icinit, idim, istate, line_search_count, line_searches, lsl, lsm, & + | ^ +Warning: 'lsm' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F:613:90: - 337 | TYPE(dbcsr_type), POINTER :: cmatrix, imatrix, imatrix_nosym, & - | ^ -note: 'cmatrix' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_distribution_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'basis_set_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/basis_set_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_kind_types.mod basis_set_types.mod input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp2k_info.mod cp_files.mod + 613 | INTEGER :: dim2, handle, icinit, idim, istate, line_search_count, line_searches, lsl, lsm, & + | ^ +Warning: 'lsl' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_epr_hyp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_scf_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_scf_types.mod scf_control_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod cp_files.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_scf_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'basis_set_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/basis_set_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_environment_types.mod qs_kind_types.mod input_section_types.mod cp2k_info.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_files.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/basis_set_output.F basis_set_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' basis_set_output.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_fb_distribution_methods.F:766:37: - - 766 | SUBROUTINE fb_distribution_move_el(dist_from, element, dist_to) - | ^ -Warning: 'fb_distribution_move_el' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_matrix_w.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_matrix_w.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_fm_types.mod qs_rho_types.mod qs_mo_types.mod kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod cp_fm_struct.mod kinds.mod kpoint_methods.mod qs_density_matrices.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_matrix_w.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_matrix_w.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod kpoint_methods.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_matrix_w.F qs_matrix_w.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_eri.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_eri.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_integral_utils.mod libint_2c_3c.mod input_constants.mod kinds.mod ai_contraction_sphi.mod cp_eri_mme_interface.mod eri_mme_test.mod ai_coulomb.mod eri_mme_integrate.mod util.mod message_passing.mod orbital_pointers.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' basis_set_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_matrix_w.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_eri.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_eri.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod basis_set_types.mod qs_kind_types.mod eri_mme_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_eri_mme_interface.mod ai_contraction_sphi.mod util.mod message_passing.mod libint_2c_3c.mod kinds.mod input_constants.mod orbital_pointers.mod eri_mme_integrate.mod base_hooks.mod ai_coulomb.mod eri_mme_test.mod qs_integral_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_eri.F mp2_eri.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_matrix_w.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F:284:13: - - 284 | IF (use_virial) THEN - | ^ -Warning: 'use_virial' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F:75:90: - - 75 | LOGICAL :: atenergy, atstress, use_virial, verbose - | ^ -note: 'use_virial' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_im_time_force_types.mod' due to: rpa_im_time_force_types.o /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_dbcsr_operations.mod base_hooks.mod dbt_api.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_eri.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_grids.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_grids.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod input_section_types.mod qs_mo_types.mod kpoint_types.mod qs_environment_types.mod cp_para_types.mod minimax_rpa.mod minimax_exp.mod minimax_exp_gw.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod cp_para_env.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_grids.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_grids.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_environment_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod minimax_exp_gw.mod message_passing.mod minimax_exp.mod cp_para_env.mod machine.mod mathconstants.mod kinds.mod minimax_rpa.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_grids.F mp2_grids.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_kernel.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod xas_tdp_types.mod distribution_2d_types.mod qs_environment_types.mod cp_para_types.mod message_passing.mod cp_dbcsr_operations.mod qs_integral_utils.mod kinds.mod util.mod base_hooks.mod dbt_api.mod particle_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_grids.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_kernel.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_scf_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod scf_control_types.mod cp_para_types.mod qs_environment_types.mod cp_control_types.mod mathlib.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'et_coupling.o' due to: /build/reproducible-path/cp2k-2023.1/src/et_coupling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod cp_fm_pool_types.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod kinds.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod qs_matrix_pools.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_eri.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_epr_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_linres_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_matrix_pools.mod mathconstants.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_grids.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_nmr_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod particle_types.mod cp_parser_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_linres_types.mod scf_control_types.mod cp_control_types.mod input_section_types.mod base_hooks.mod qs_matrix_pools.mod cp_units.mod memory_utilities.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_epr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'et_coupling.o' due to: /build/reproducible-path/cp2k-2023.1/src/et_coupling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod cp_para_types.mod input_section_types.mod parallel_gemm_api.mod qs_matrix_pools.mod cp_dbcsr_operations.mod mathlib.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/et_coupling.F et_coupling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_scf_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_stda_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' et_coupling.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_stda_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod cp_control_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_types.F qs_tddfpt2_stda_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' et_coupling.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_nmr_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod scf_control_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod pw_env_types.mod particle_types.mod qs_linres_types.mod qs_environment_types.mod cp_control_types.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod qs_matrix_pools.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_epr_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod kinds.mod mathconstants.mod qs_matrix_pools.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_dmfet_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod embed_types.mod input_section_types.mod qs_mo_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod parallel_gemm_api.mod cp_blacs_env.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_kernel.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod qs_environment_types.mod xas_tdp_types.mod distribution_2d_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod dbt_api.mod message_passing.mod particle_methods.mod kinds.mod cp_dbcsr_operations.mod qs_integral_utils.mod util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_dmfet_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod embed_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod cp_control_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_dmfet_potential.F optimize_dmfet_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_epr_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_hfx_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod cp_dbcsr_operations.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_kernel.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_hfx_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod admm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod cp_control_types.mod base_hooks.mod cp_dbcsr_cp2k_link.mod kinds.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_hfx_utils.F rt_hfx_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_dmfet_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_hfx_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_dmfet_potential.F90 +/build/reproducible-path/cp2k-2023.1/src/mp2_grids.F:455:10: + + 455 | IF (ABS(left_term + right_term) >= conv_param) THEN + | ^ +Warning: 'left_term' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_grids.F:394:88: + + 394 | REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & + | ^ +note: 'left_term' declared here +/build/reproducible-path/cp2k-2023.1/src/mp2_grids.F:456:13: + + 456 | IF (a_scaling >= 2*num_integ_points*step) THEN + | ^ +Warning: 'a_scaling' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_grids.F:394:47: + + 394 | REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & + | ^ +note: 'a_scaling' declared here /build/reproducible-path/cp2k-2023.1/src/et_coupling.F:226:23: 226 | W_mat(1, 1) = Wbb @@ -57875,11 +58292,41 @@ 73 | REAL(KIND=dp) :: Sda, strength, Waa, Wbb, Wda | ^ note: 'waa' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_p_env_types.mod cp_fm_types.mod cp_fm_pool_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod cp_fm_struct.mod qs_matrix_pools.mod cp_blacs_env.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_hfx_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:893:71: + + 893 | COMPLEX(dp), ALLOCATABLE, DIMENSION(:) :: delta_res_p, res_rho, res_rho_p, tmp + | ^ +Warning: 'delta_res_p.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:901:76: + + 901 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a, au, av, b, bq, work + | ^ +Warning: 'bq.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:1081:23: + + 1081 | bq = 0.0_dp + | ^ +Warning: 'bq.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:901:76: + + 901 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a, au, av, b, bq, work + | ^ +note: 'bq.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F:901:76: Warning: 'bq.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_environment_types.mod qs_p_env_types.mod cp_para_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod qs_matrix_pools.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_types.F qs_tddfpt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod fist_environment_types.mod qs_energy_types.mod fist_energy_types.mod cp_subsys_types.mod qmmm_types_low.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_types.F qmmm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_types.mod' due to: qmmm_types.o /build/reproducible-path/cp2k-2023.1/src/qmmm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qs_energy_types.mod qs_environment_types.mod fist_energy_types.mod qmmm_types_low.mod fist_environment_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dispersion_pairpot.mod' due to: qs_dispersion_pairpot.o /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_dispersion_types.mod cp_parser_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod atprop_types.mod input_section_types.mod virial_methods.mod bibliography.mod cp_files.mod memory_utilities.mod cp_parser_methods.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_potentials.mod' due to: pao_potentials.o /build/reproducible-path/cp2k-2023.1/src/pao_potentials.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod mathconstants.mod kinds.mod ao_util.mod ai_overlap.mod orbital_pointers.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_linpot_full.mod' due to: pao_linpot_full.o /build/reproducible-path/cp2k-2023.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_linpot_rotinv.mod' due to: pao_linpot_rotinv.o /build/reproducible-path/cp2k-2023.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod mathconstants.mod kinds.mod ai_overlap.mod orbital_pointers.mod mathlib.mod +true /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:320:105: 320 | ir, rho_nlcc(:, 1), rho_h, rho_s, rho_nlcc(:, 2), drho_h, drho_s) @@ -57892,382 +58339,122 @@ note: 'rho_nlcc.data' was declared here /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:114:68: Warning: 'rho_nlcc.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F:114:68: Warning: 'rho_nlcc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'voronoi_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod pw_grid_types.mod molecule_kind_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_files.mod input_constants.mod kinds.mod mathconstants.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F voronoi_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_integrate_potential_single.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod lri_environment_types.mod qs_environment_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod ao_util.mod rs_pw_interface.mod kinds.mod gaussian_gridlevels.mod memory_utilities.mod grid_api.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 -/build/reproducible-path/cp2k-2023.1/src/mp2_grids.F:455:10: - - 455 | IF (ABS(left_term + right_term) >= conv_param) THEN - | ^ -Warning: 'left_term' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_grids.F:394:88: - - 394 | REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & - | ^ -note: 'left_term' declared here -/build/reproducible-path/cp2k-2023.1/src/mp2_grids.F:456:13: - - 456 | IF (a_scaling >= 2*num_integ_points*step) THEN - | ^ -Warning: 'a_scaling' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_grids.F:394:47: - - 394 | REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & - | ^ -note: 'a_scaling' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_integrate_potential_product.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod task_list_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod admm_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_dbcsr_operations.mod ao_util.mod rs_pw_interface.mod input_constants.mod kinds.mod gaussian_gridlevels.mod task_list_methods.mod grid_api.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' voronoi_interface.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho0_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod qs_local_rho_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod input_section_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod qs_oce_methods.mod cp_log_handling.mod cp_output_handling.mod ao_util.mod kinds.mod mathconstants.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F qs_rho0_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_single.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_product.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho0_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_operators_ao.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_environment_types.mod block_p_types.mod cp_para_types.mod ai_moments.mod ai_os_rr.mod orbital_pointers.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F qs_operators_ao.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_dbcsr_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod basis_set_types.mod cp_fm_types.mod particle_types.mod qs_environment_types.mod cp_para_types.mod mathlib.mod message_passing.mod orbital_pointers.mod cp_log_handling.mod kinds.mod base_hooks.mod particle_methods.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_operators_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_dbcsr_output.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'commutator_rpnl.mod' due to: commutator_rpnl.o /build/reproducible-path/cp2k-2023.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod sap_kind_types.mod basis_set_types.mod external_potential_types.mod cell_types.mod particle_types.mod block_p_types.mod qs_kind_types.mod ai_moments.mod ai_overlap.mod orbital_pointers.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_collocate_density.mod' due to: qs_collocate_density.o /build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod realspace_grid_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod external_potential_types.mod lri_environment_types.mod admm_types.mod pw_pool_types.mod particle_types.mod cell_types.mod cp_fm_types.mod cp_dbcsr_operations.mod memory_utilities.mod task_list_methods.mod rs_pw_interface.mod pw_methods.mod gaussian_gridlevels.mod grid_api.mod message_passing.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod ao_util.mod true -/build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F:74:24: - - 74 | INTEGER :: step_count = 0 - | 1 -Warning: Unused PRIVATE module variable 'step_count' declared at (1) [-Wunused-value] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'moments_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/moments_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_environment_types.mod qs_kind_types.mod atomic_kind_types.mod cell_types.mod particle_types.mod qs_environment_types.mod distribution_1d_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/moments_utils.F moments_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_environment_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_environment_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod qs_kind_types.mod input_section_types.mod lri_environment_types.mod cp_control_types.mod mathlib.mod ao_util.mod bibliography.mod generic_shg_integrals.mod mathconstants.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_environment_init.F lri_environment_init.F90 -/build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F:846:34: - - 846 | SUBROUTINE molecular_properties(subsys, cell, sim_step, sim_time, iounit, & - | ^ -Warning: 'molecular_properties' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dispersion_pairpot.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod virial_types.mod qs_dispersion_types.mod atprop_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod cell_types.mod particle_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod cp_parser_methods.mod input_constants.mod kinds.mod mathconstants.mod memory_utilities.mod message_passing.mod virial_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' moments_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_environment_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dkh_main.mod' due to: dkh_main.o /build/reproducible-path/cp2k-2023.1/src/dkh_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_environment_types.mod cp_fm_struct.mod cp_fm_cholesky.mod parallel_gemm_api.mod physcon.mod cp_blacs_env.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho_atom_methods.mod' due to: qs_rho_atom_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod cp_para_types.mod paw_proj_set_types.mod kpoint_types.mod sap_kind_types.mod spherical_harmonics.mod lebedev.mod qs_oce_methods.mod qs_harmonics_atom.mod memory_utilities.mod whittaker.mod mathconstants.mod util.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod qs_grid_atom.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dispersion_pairpot.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_sccs.mod' due to: qs_sccs.o /build/reproducible-path/cp2k-2023.1/src/qs_sccs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod cp_subsys_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod pw_pool_types.mod particle_list_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_realspace_grid_init.mod cp_units.mod input_constants.mod kinds.mod mathconstants.mod pw_poisson_methods.mod message_passing.mod kahan_sum.mod base_hooks.mod cp_realspace_grid_cube.mod rs_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dkh_main.mod' due to: dkh_main.o /build/reproducible-path/cp2k-2023.1/src/dkh_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_cholesky.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_blacs_env.mod cp_fm_diag.mod kinds.mod physcon.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner.mod' due to: preconditioner.o /build/reproducible-path/cp2k-2023.1/src/preconditioner.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod preconditioner_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod cp_dbcsr_operations.mod preconditioner_makes.mod input_constants.mod preconditioner_apply.mod cp_blacs_env.mod kinds.mod base_hooks.mod preconditioner_solvers.mod qs_mo_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'preconditioner.o' due to: /build/reproducible-path/cp2k-2023.1/src/preconditioner.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_types.mod qs_mo_types.mod cp_control_types.mod preconditioner_solvers.mod base_hooks.mod preconditioner_apply.mod qs_mo_methods.mod cp_blacs_env.mod preconditioner_makes.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/preconditioner.F preconditioner.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mixing_utils.mod' due to: qs_mixing_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod pw_types.mod distribution_1d_types.mod qs_rho_atom_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod qs_scf_methods.mod cp_dbcsr_cp2k_link.mod kinds.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_collocate_density.mod' due to: qs_collocate_density.o /build/reproducible-path/cp2k-2023.1/src/qs_collocate_density.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_pool_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod admm_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod cp_dbcsr_operations.mod ao_util.mod rs_pw_interface.mod input_constants.mod kinds.mod gaussian_gridlevels.mod task_list_methods.mod memory_utilities.mod grid_api.mod message_passing.mod orbital_pointers.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' preconditioner.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_output.mod' due to: cp_dbcsr_output.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod orbital_pointers.mod message_passing.mod particle_methods.mod cp_log_handling.mod machine.mod kinds.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mo_io.mod' due to: qs_mo_io.o /build/reproducible-path/cp2k-2023.1/src/qs_mo_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_dftb_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod qs_dftb_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod cp_dbcsr_operations.mod kinds.mod qs_density_matrices.mod message_passing.mod kahan_sum.mod orbital_transformation_matrices.mod orbital_pointers.mod orbital_symbols.mod qs_mo_occupation.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_integrate_potential_single.mod' due to: qs_integrate_potential_single.o /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod realspace_grid_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod external_potential_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod atprop_types.mod memory_utilities.mod rs_pw_interface.mod gaussian_gridlevels.mod grid_api.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod ao_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_potentials.mod' due to: pao_potentials.o /build/reproducible-path/cp2k-2023.1/src/pao_potentials.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_environment_types.mod qs_kind_types.mod mathlib.mod ao_util.mod ai_overlap.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_integrate_potential_product.mod' due to: qs_integrate_potential_product.o /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod realspace_grid_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod virial_types.mod admm_types.mod particle_types.mod cell_types.mod cp_dbcsr_operations.mod task_list_methods.mod rs_pw_interface.mod gaussian_gridlevels.mod grid_api.mod message_passing.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod ao_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_linpot_rotinv.mod' due to: pao_linpot_rotinv.o /build/reproducible-path/cp2k-2023.1/src/pao_linpot_rotinv.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_environment_types.mod qs_kind_types.mod mathlib.mod ai_overlap.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'moments_utils.mod' due to: moments_utils.o /build/reproducible-path/cp2k-2023.1/src/moments_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod distribution_1d_types.mod cp_para_types.mod fist_environment_types.mod base_hooks.mod message_passing.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_linpot_full.mod' due to: pao_linpot_full.o /build/reproducible-path/cp2k-2023.1/src/pao_linpot_full.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_environment_types.mod qs_kind_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'commutator_rpnl.mod' due to: commutator_rpnl.o /build/reproducible-path/cp2k-2023.1/src/commutator_rpnl.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_neighbor_list_types.mod qs_kind_types.mod sap_kind_types.mod external_potential_types.mod base_hooks.mod ai_moments.mod kinds.mod ai_overlap.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param_gth.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param_gth.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod dm_ls_scf_types.mod cell_types.mod pao_types.mod particle_types.mod qs_kind_types.mod message_passing.mod orbital_pointers.mod pao_param_fock.mod iterate_matrix.mod arnoldi_api.mod kinds.mod base_hooks.mod pao_potentials.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param_gth.F pao_param_gth.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param_gth.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_ml_descriptor.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cell_types.mod pao_types.mod particle_types.mod qs_kind_types.mod mathlib.mod mathconstants.mod pao_input.mod kinds.mod util.mod base_hooks.mod pao_potentials.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F:193:74: - - 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as - | ^ -Warning: 'cpc_as.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F:193:66: - - 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as - | ^ -Warning: 'cpc_ah.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gspace_mixing.mod' due to: qs_gspace_mixing.o /build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod pw_env_types.mod qs_rho_types.mod pw_pool_types.mod pw_types.mod qs_rho_atom_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod mathlib.mod message_passing.mod kinds.mod pw_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_operators_ao.mod' due to: qs_operators_ao.o /build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod orbital_pointers.mod cp_log_handling.mod ai_os_rr.mod mathconstants.mod ai_moments.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_ml_descriptor.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mixing_utils.mod' due to: qs_mixing_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_mixing_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_density_mixing_types.mod qs_rho_types.mod qs_rho_atom_types.mod pw_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod cp_dbcsr_operations.mod qs_scf_methods.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb3_methods.mod' due to: qs_dftb3_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod qs_energy_types.mod qs_kind_types.mod virial_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod sap_kind_types.mod atprop_types.mod virial_methods.mod message_passing.mod kinds.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1497:13: - - 1497 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1355:38: - - 1355 | jkind, jpgf, jset, last_jatom, lda_min, ldab, ldb_min, ldsa, ldsb, ldwork, M_dim, maxl, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1492:63: - - 1492 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lzo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1362:99: - - 1362 | REAL(KIND=dp) :: alpha, alpha_der, dab, Lxo2, Lyo2, Lzo2, & - | ^ -note: 'lzo2' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1492:63: - - 1492 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lyo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1362:93: - - 1362 | REAL(KIND=dp) :: alpha, alpha_der, dab, Lxo2, Lyo2, Lzo2, & - | ^ -note: 'lyo2' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1492:63: - - 1492 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lxo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1362:87: - - 1362 | REAL(KIND=dp) :: alpha, alpha_der, dab, Lxo2, Lyo2, Lzo2, & - | ^ -note: 'lxo2' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho_atom_methods.mod' due to: qs_rho_atom_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_rho_atom_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod sap_kind_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod paw_proj_set_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod kpoint_types.mod qs_oce_methods.mod kinds.mod mathconstants.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod util.mod message_passing.mod whittaker.mod lebedev.mod orbital_pointers.mod base_hooks.mod spherical_harmonics.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_tb_coulomb.mod' due to: qmmm_tb_coulomb.o /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod distribution_1d_types.mod cp_control_types.mod qs_energy_types.mod ewald_pw_types.mod virial_types.mod qmmm_types_low.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod mathconstants.mod message_passing.mod kinds.mod base_hooks.mod ewald_methods_tb.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_environment_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod lri_integrals.mod core_ppl.mod cp_output_handling.mod generic_os_integrals.mod mathlib.mod input_constants.mod kinds.mod qs_collocate_density.mod message_passing.mod lri_compression.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F lri_environment_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F:247:10: - - 247 | IF (print_sym) THEN - | ^ -Warning: 'print_sym' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F:181:86: - - 181 | LOGICAL :: my_omit_headers, print_sym - | ^ -note: 'print_sym' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_environment_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ri_environment_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_o3c_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod lri_environment_types.mod pw_types.mod cp_dbcsr_operations.mod qs_overlap.mod qs_o3c_methods.mod iterate_matrix.mod cp_dbcsr_diag.mod kinds.mod cp_blacs_env.mod qs_collocate_density.mod util.mod message_passing.mod arnoldi_api.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F ri_environment_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_dm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_dm_types.mod task_list_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod cp_dbcsr_operations.mod cp_log_handling.mod iterate_matrix.mod input_constants.mod qs_collocate_density.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_dm_methods.F admm_dm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ri_environment_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hartree_local_methods.mod' due to: hartree_local_methods.o /build/reproducible-path/cp2k-2023.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod hartree_local_types.mod qs_environment_types.mod qs_rho0_types.mod qs_rho_atom_types.mod qs_charges_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod kinds.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc_forces.mod' due to: cp_ddapc_forces.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_force_types.mod pw_types.mod cp_para_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod pw_spline_utils.mod spherical_harmonics.mod message_passing.mod mathconstants.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_atom.mod' due to: qs_ks_atom.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod sap_kind_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod kpoint_types.mod qs_nl_hash_table_types.mod qs_oce_methods.mod ao_util.mod kinds.mod cp_array_utils.mod util.mod message_passing.mod virial_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_qmmm_methods.mod' due to: qs_ks_qmmm_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qmmm_types_low.mod qs_environment_types.mod pw_types.mod cp_control_types.mod qs_ks_qmmm_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod cube_utils.mod kinds.mod pw_methods.mod input_constants.mod d3_poly.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_vxc_atom.mod' due to: qs_vxc_atom.o /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod xc_derivative_set_types.mod atomic_kind_types.mod qs_environment_types.mod input_section_types.mod paw_proj_set_types.mod qs_linres_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod xc_atom.mod xc_derivatives.mod input_constants.mod kinds.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod util.mod message_passing.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_forces.mod' due to: lri_forces.o /build/reproducible-path/cp2k-2023.1/src/lri_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod kpoint_types.mod lri_environment_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod virial_types.mod base_hooks.mod virial_methods.mod lri_integrals.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_dm_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:502:115: - - 502 | MATMUL(TRANSPOSE(sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1)), work(1:ncoa, 1:nsgfb(jset))) - | ^ -Warning: 'sgfb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:122:80: - - 122 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb - | ^ -note: 'sgfb' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:122:29: - - 122 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb - | ^ -Warning: 'ncob' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:507:115: - - 507 | MATMUL(TRANSPOSE(sphi_b(1:ncob, sgfb:sgfb + nsgfb(jset) - 1)), work(1:ncob, 1:nsgfa(iset))) - | ^ -Warning: 'sgfa' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:122:74: - - 122 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb - | ^ -note: 'sgfa' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:122:23: - - 122 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb - | ^ -Warning: 'ncoa' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1215:13: - - 1215 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1093:19: - - 1093 | last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1210:63: - - 1210 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lzo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1100:81: - - 1100 | REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2 - | ^ -note: 'lzo2' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1210:63: - - 1210 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lyo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1100:75: - - 1100 | REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2 - | ^ -note: 'lyo2' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1210:63: - - 1210 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lxo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:1100:69: - - 1100 | REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2 - | ^ -note: 'lxo2' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_qmmm_methods.mod' due to: qs_ks_qmmm_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_qmmm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod qmmm_types_low.mod qs_environment_types.mod pw_env_types.mod input_section_types.mod pw_pool_types.mod cp_control_types.mod qs_ks_qmmm_types.mod cp_log_handling.mod input_constants.mod kinds.mod cp_output_handling.mod base_hooks.mod d3_poly.mod pw_methods.mod cube_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_dm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod admm_types.mod qs_environment_types.mod qs_rho_types.mod admm_dm_types.mod task_list_types.mod pw_types.mod cp_control_types.mod qs_collocate_density.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod iterate_matrix.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_dm_methods.F admm_dm_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'efield_utils.mod' due to: efield_utils.o /build/reproducible-path/cp2k-2023.1/src/efield_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qs_energy_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_force_types.mod qs_rho_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod kahan_sum.mod mathconstants.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_methods.mod' due to: ec_methods.o /build/reproducible-path/cp2k-2023.1/src/ec_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod xc_derivative_set_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod xc_rho_set_types.mod pw_types.mod xc.mod cp_log_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_blacs_env.mod qs_matrix_pools.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho0_methods.mod' due to: qs_rho0_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod qs_local_rho_types.mod input_section_types.mod qs_oce_methods.mod qs_harmonics_atom.mod memory_utilities.mod mathconstants.mod cp_log_handling.mod kinds.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod orbital_transformation_matrices.mod qs_grid_atom.mod ao_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_forces.mod' due to: lri_forces.o /build/reproducible-path/cp2k-2023.1/src/lri_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod virial_types.mod qs_o3c_types.mod qs_ks_types.mod kpoint_types.mod lri_environment_types.mod qs_neighbor_list_types.mod virial_methods.mod lri_integrals.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_vxc_atom.mod' due to: qs_vxc_atom.o /build/reproducible-path/cp2k-2023.1/src/qs_vxc_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_linres_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod cp_para_types.mod paw_proj_set_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod input_section_types.mod qs_harmonics_atom.mod memory_utilities.mod xc_derivatives.mod util.mod message_passing.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod xc_atom.mod qs_grid_atom.mod true -/build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F:481:40: - - 481 | SUBROUTINE calculate_lri_overlap_aabb(lri_env, qs_env) - | ^ -Warning: 'calculate_lri_overlap_aabb' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc_forces.mod' due to: cp_ddapc_forces.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod pw_spline_utils.mod mathconstants.mod input_constants.mod kinds.mod spherical_harmonics.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_dm_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix_exchange.mod' due to: se_fock_matrix_exchange.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod multipole_types.mod cp_control_types.mod semi_empirical_store_int_types.mod qs_kind_types.mod semi_empirical_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod se_fock_matrix_integrals.mod virial_methods.mod semi_empirical_utils.mod kinds.mod input_constants.mod base_hooks.mod semi_empirical_int_arrays.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_tb_coulomb.mod' due to: qmmm_tb_coulomb.o /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qmmm_types_low.mod ewald_pw_types.mod distribution_1d_types.mod cell_types.mod particle_types.mod kinds.mod mathconstants.mod message_passing.mod ewald_methods_tb.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix_coulomb.mod' due to: se_fock_matrix_coulomb.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod multipole_types.mod distribution_1d_types.mod cp_control_types.mod semi_empirical_store_int_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod semi_empirical_types.mod virial_types.mod semi_empirical_mpole_types.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod atprop_types.mod ewald_environment_types.mod input_section_types.mod se_fock_matrix_integrals.mod ewalds_multipole.mod virial_methods.mod cp_dbcsr_operations.mod semi_empirical_int_arrays.mod semi_empirical_mpole_methods.mod fist_neighbor_list_control.mod message_passing.mod semi_empirical_utils.mod cp_log_handling.mod semi_empirical_integrals.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:214:67: - - 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs - | ^ -Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:316:100: - - 316 | block_M(:, :) = block_M(:, :) + w*MATMUL(S_evecs(:, k:k), TRANSPOSE(S_evecs(:, k:k))) - | ^ -Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:214:67: - - 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs - | ^ -note: 'block_m.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:214:67: Warning: 'block_m.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:111:67: - - 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs - | ^ -Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:162:100: - - 162 | block_M(:, :) = block_M(:, :) + w*MATMUL(V_evecs(:, k:k), TRANSPOSE(V_evecs(:, k:k))) - | ^ -Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:111:67: - - 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs - | ^ -note: 'block_m.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb3_methods.mod' due to: qs_dftb3_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb3_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod atprop_types.mod sap_kind_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod kinds.mod message_passing.mod virial_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_core_energies.mod' due to: qs_core_energies.o /build/reproducible-path/cp2k-2023.1/src/qs_core_energies.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod qs_energy_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_kind_types.mod distribution_1d_types.mod atprop_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod virial_methods.mod mathconstants.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_core_energies.mod' due to: qs_core_energies.o /build/reproducible-path/cp2k-2023.1/src/qs_core_energies.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod qs_energy_types.mod atomic_kind_types.mod virial_types.mod particle_types.mod atprop_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_para_types.mod message_passing.mod virial_methods.mod mathconstants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod sap_kind_types.mod cp_control_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod virial_types.mod qs_dftb_types.mod cp_para_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod virial_methods.mod mathconstants.mod qs_dftb_utils.mod message_passing.mod kinds.mod base_hooks.mod ewald_methods_tb.mod qs_dftb3_methods.mod qmmm_tb_coulomb.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'surface_dipole.mod' due to: surface_dipole.o /build/reproducible-path/cp2k-2023.1/src/surface_dipole.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod qs_subsys_types.mod pw_env_types.mod qs_energy_types.mod cell_types.mod qs_environment_types.mod qs_rho_types.mod pw_grid_types.mod pw_types.mod cp_control_types.mod base_hooks.mod message_passing.mod kahan_sum.mod mathconstants.mod pw_methods.mod kinds.mod physcon.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'surface_dipole.mod' due to: surface_dipole.o /build/reproducible-path/cp2k-2023.1/src/surface_dipole.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod qs_energy_types.mod cell_types.mod pw_env_types.mod qs_rho_types.mod pw_pool_types.mod pw_types.mod qs_environment_types.mod pw_grid_types.mod cp_control_types.mod pw_methods.mod message_passing.mod kahan_sum.mod mathconstants.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hartree_local_methods.mod' due to: hartree_local_methods.o /build/reproducible-path/cp2k-2023.1/src/hartree_local_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod qs_rho_atom_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod hartree_local_types.mod qs_charges_types.mod cp_para_types.mod pw_poisson_types.mod qs_local_rho_types.mod cell_types.mod atprop_types.mod qs_harmonics_atom.mod mathconstants.mod util.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod qs_grid_atom.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_localization_methods.mod' due to: qs_localization_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cell_types.mod cp_log_handling.mod cp_external_control.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod mathconstants.mod cp_cfm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod kahan_sum.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod matrix_exp.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_coulomb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_pw_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod input_section_types.mod qs_collocate_density.mod pw_poisson_methods.mod cp_dbcsr_operations.mod mathconstants.mod pw_methods.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_pw_methods.F hfx_pw_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_localization_methods.mod' due to: qs_localization_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_localization_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cell_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_external_control.mod cp_dbcsr_operations.mod cp_cfm_basic_linalg.mod mathconstants.mod message_passing.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod matrix_exp.mod qs_mo_methods.mod kinds.mod base_hooks.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_neighbor_lists.mod' due to: qs_neighbor_lists.o /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_gcp_types.mod xtb_types.mod almo_scf_types.mod qs_dispersion_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_ks_types.mod qs_dftb_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod paw_proj_set_types.mod distribution_1d_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod subcell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod qs_dftb_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod string_utilities.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod util.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_neighbor_lists.mod' due to: qs_neighbor_lists.o /build/reproducible-path/cp2k-2023.1/src/qs_neighbor_lists.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_dispersion_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod qs_gcp_types.mod qs_kind_types.mod external_potential_types.mod qs_dftb_types.mod xtb_types.mod cp_para_types.mod almo_scf_types.mod paw_proj_set_types.mod kpoint_types.mod particle_types.mod cell_types.mod subcell_types.mod distribution_2d_types.mod ewald_environment_types.mod input_section_types.mod string_utilities.mod cp_units.mod qs_dftb_utils.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod periodic_table.mod true -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:939:13: - - 939 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:824:97: - - 824 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:936:63: - - 936 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lzo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:830:88: - - 830 | REAL(KIND=dp) :: alpha, dab, Lxo2, Lyo2, Lzo2, rab2 - | ^ -note: 'lzo2' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:936:63: - - 936 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lyo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:830:82: - - 830 | REAL(KIND=dp) :: alpha, dab, Lxo2, Lyo2, Lzo2, rab2 - | ^ -note: 'lyo2' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:936:63: - - 936 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE - | ^ -Warning: 'lxo2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:830:76: - - 830 | REAL(KIND=dp) :: alpha, dab, Lxo2, Lyo2, Lzo2, rab2 - | ^ -note: 'lxo2' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_adiabatic_methods.mod' due to: xc_adiabatic_methods.o /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_mo_types.mod qs_environment_types.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_communication.mod' due to: hfx_communication.o /build/reproducible-path/cp2k-2023.1/src/hfx_communication.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod qs_environment_types.mod hfx_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_screening_methods.mod' due to: hfx_screening_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod hfx_types.mod qs_environment_types.mod qs_kind_types.mod powell.mod libint_wrapper.mod ao_util.mod machine.mod orbital_pointers.mod kinds.mod base_hooks.mod hfx_libint_interface.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_screening_methods.mod' due to: hfx_screening_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_screening_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_environment_types.mod qs_kind_types.mod hfx_types.mod base_hooks.mod hfx_libint_interface.mod powell.mod ao_util.mod machine.mod libint_wrapper.mod kinds.mod orbital_pointers.mod true -/build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F:399:65: - - 399 | nspin - | ^ -Warning: 'nspin' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_communication.mod' due to: hfx_communication.o /build/reproducible-path/cp2k-2023.1/src/hfx_communication.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod hfx_types.mod particle_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_pw_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_adiabatic_methods.mod' due to: xc_adiabatic_methods.o /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_environment_types.mod qs_mo_types.mod base_hooks.mod mathconstants.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_pw_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod mathconstants.mod qs_collocate_density.mod pw_poisson_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_pw_methods.F hfx_pw_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_pw_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_energy_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod admm_types.mod particle_types.mod kpoint_types.mod libint_wrapper.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod machine.mod gamma.mod input_constants.mod hfx_load_balance_methods.mod t_c_g0.mod hfx_pair_list_methods.mod kinds.mod hfx_contract_block.mod mathconstants.mod util.mod hfx_screening_methods.mod hfx_communication.mod hfx_compression_methods.mod message_passing.mod orbital_pointers.mod base_hooks.mod hfx_libint_interface.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_energy_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod hfx_types.mod admm_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod input_section_types.mod hfx_libint_interface.mod gamma.mod bibliography.mod cp_files.mod mathconstants.mod libint_wrapper.mod hfx_communication.mod hfx_contract_block.mod hfx_pair_list_methods.mod util.mod t_c_g0.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod hfx_screening_methods.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod machine.mod hfx_compression_methods.mod hfx_load_balance_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_energy_potential.F hfx_energy_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_energy_potential.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:554:13: +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_sccs.mod' due to: qs_sccs.o /build/reproducible-path/cp2k-2023.1/src/qs_sccs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod realspace_grid_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod qs_scf_types.mod cp_para_types.mod cp_subsys_types.mod pw_pool_types.mod pw_poisson_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod rs_methods.mod cp_realspace_grid_init.mod cp_units.mod mathconstants.mod pw_methods.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_methods.mod' due to: ec_methods.o /build/reproducible-path/cp2k-2023.1/src/ec_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod xc_rho_set_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod xc_derivative_set_types.mod qs_rho_types.mod input_section_types.mod qs_matrix_pools.mod cp_dbcsr_operations.mod xc.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_energy_potential.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_diis.mod' due to: qs_diis.o /build/reproducible-path/cp2k-2023.1/src/qs_diis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod dm_ls_scf_types.mod qs_diis_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod string_utilities.mod cp_fm_struct.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod cp_dbcsr_operations.mod mathlib.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gspace_mixing.mod' due to: qs_gspace_mixing.o /build/reproducible-path/cp2k-2023.1/src/qs_gspace_mixing.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qs_density_mixing_types.mod qs_environment_types.mod qs_rho_types.mod pw_types.mod qs_rho_atom_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod message_passing.mod kinds.mod pw_methods.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_io.mod' due to: kpoint_io.o /build/reproducible-path/cp2k-2023.1/src/kpoint_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cp_fm_types.mod basis_set_types.mod qs_kind_types.mod qs_scf_types.mod qs_dftb_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod input_section_types.mod cp_dbcsr_operations.mod cp_files.mod qs_dftb_utils.mod message_passing.mod cp_log_handling.mod kinds.mod qs_mo_io.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fermi_contact.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod cp_log_handling.mod kinds.mod ai_fermi_contact.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F qs_fermi_contact.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_spin_orbit.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod cp_log_handling.mod kinds.mod ai_spin_orbit.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F qs_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fermi_contact.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_elec_field.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod ai_elec_field.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F qs_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_spin_orbit.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gcp_utils.mod' due to: qs_gcp_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod cp_parser_types.mod qs_environment_types.mod qs_gcp_types.mod qs_kind_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod sto_ng.mod periodic_table.mod cp_parser_methods.mod mathconstants.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_environment_init.mod' due to: lri_environment_init.o /build/reproducible-path/cp2k-2023.1/src/lri_environment_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod lri_environment_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod input_section_types.mod cp_control_types.mod generic_shg_integrals_init.mod base_hooks.mod generic_shg_integrals.mod mathconstants.mod kinds.mod ao_util.mod bibliography.mod mathlib.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_elec_field.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_env_methods.mod' due to: pw_env_methods.o /build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_dispersion_types.mod qs_environment_types.mod dielectric_types.mod ps_wavelet_types.mod qs_rho0_types.mod realspace_grid_types.mod cp_control_types.mod basis_set_types.mod ps_implicit_types.mod qs_kind_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod cell_types.mod pw_grid_types.mod input_section_types.mod pw_poisson_methods.mod cube_utils.mod cp_realspace_grid_init.mod d3_poly.mod pw_grid_info.mod gaussian_gridlevels.mod dct.mod cp_log_handling.mod kinds.mod input_constants.mod pw_grids.mod cp_output_handling.mod base_hooks.mod pw_poisson_read_input.mod xc_input_constants.mod ao_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_matrix_w.mod' due to: qs_energy_matrix_w.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod kpoint_methods.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_core_hamiltonian.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod kg_environment_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod core_ppl.mod qs_oce_methods.mod cp_dbcsr_cp2k_link.mod core_ppnl.mod cp_dbcsr_operations.mod qs_overlap.mod cp_log_handling.mod core_ae.mod kinds.mod input_constants.mod kg_tnadd_mat.mod qs_condnum.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod cp_blacs_env.mod qs_kinetic.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_env_methods.mod' due to: almo_scf_env_methods.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod almo_scf_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod kinds.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F:195:13: - 554 | IF (jatom /= last_jatom) THEN + 195 | IF (jatom /= last_jatom) THEN | ^ Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:450:97: +/build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F:83:19: - 450 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^ + 83 | last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & + | ^ note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F:633:23: - - 633 | IF (symm .AND. (iatom /= jatom)) THEN - | ^ -Warning: 'symm' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F:599:64: - - 599 | LOGICAL :: symm - | ^ -note: 'symm' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix_coulomb.mod' due to: se_fock_matrix_coulomb.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod semi_empirical_mpole_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod multipole_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod semi_empirical_store_int_types.mod cp_log_handling.mod cp_output_handling.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod ewalds_multipole.mod semi_empirical_mpole_methods.mod semi_empirical_integrals.mod message_passing.mod se_fock_matrix_integrals.mod virial_methods.mod fist_neighbor_list_control.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_core_hamiltonian.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'voronoi_interface.mod' due to: voronoi_interface.o /build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod bibliography.mod cp_files.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix_exchange.mod' due to: se_fock_matrix_exchange.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_exchange.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod multipole_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod semi_empirical_store_int_types.mod input_constants.mod kinds.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod se_fock_matrix_integrals.mod virial_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'efield_utils.mod' due to: efield_utils.o /build/reproducible-path/cp2k-2023.1/src/efield_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod atomic_kind_types.mod qs_energy_types.mod cell_types.mod qs_rho_types.mod particle_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod kahan_sum.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kpoint_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/kpoint_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_dftb_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod qs_dftb_utils.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod cp_dbcsr_operations.mod kinds.mod message_passing.mod orbital_pointers.mod qs_mo_io.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kpoint_io.F kpoint_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_diis.mod' due to: qs_diis.o /build/reproducible-path/cp2k-2023.1/src/qs_diis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod qs_diis_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod string_utilities.mod parallel_gemm_api.mod cp_log_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_init.mod' due to: qmmm_init.o /build/reproducible-path/cp2k-2023.1/src/qmmm_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod shell_potential_types.mod cp_control_types.mod atomic_kind_list_types.mod pair_potential_types.mod external_potential_types.mod molecule_kind_types.mod cp_para_types.mod qmmm_types_low.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod force_field_types.mod input_section_types.mod cp_eri_mme_interface.mod qmmm_per_elpot.mod cp_units.mod qmmm_ff_fist.mod qmmm_gaussian_init.mod cell_methods.mod qmmm_elpot.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod force_fields_input.mod true /build/reproducible-path/cp2k-2023.1/src/mp2_eri.F:1384:71: @@ -58538,294 +58725,110 @@ 1127 | hdabc_uncontr, v_work | ^ note: 'hdabc_uncontr.offset' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kpoint_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_block_davidson.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_block_davidson_types.mod cp_fm_types.mod qs_mo_types.mod preconditioner_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod preconditioner.mod parallel_gemm_api.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_block_davidson.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_env_methods.mod' due to: almo_scf_env_methods.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod almo_scf_types.mod qs_environment_types.mod cp_control_types.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pw_env_methods.mod' due to: pw_env_methods.o /build/reproducible-path/cp2k-2023.1/src/pw_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod dielectric_types.mod qs_environment_types.mod qs_rho0_types.mod ps_wavelet_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod realspace_grid_types.mod ps_implicit_types.mod xc_input_constants.mod cp_log_handling.mod cp_output_handling.mod pw_poisson_read_input.mod cube_utils.mod cp_realspace_grid_init.mod ao_util.mod pw_grid_info.mod input_constants.mod dct.mod kinds.mod gaussian_gridlevels.mod pw_grids.mod pw_poisson_methods.mod d3_poly.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_matrix_w.mod' due to: qs_energy_matrix_w.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_matrix_w.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_fm_types.mod qs_rho_types.mod qs_mo_types.mod kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod cp_fm_struct.mod kinds.mod kpoint_methods.mod qs_density_matrices.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gcp_utils.mod' due to: qs_gcp_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_gcp_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod qs_kind_types.mod basis_set_types.mod input_section_types.mod qs_gcp_types.mod qs_environment_types.mod cp_para_types.mod cp_parser_methods.mod mathconstants.mod periodic_table.mod sto_ng.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_init.mod' due to: qmmm_init.o /build/reproducible-path/cp2k-2023.1/src/qmmm_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod force_field_types.mod atomic_kind_types.mod pw_env_types.mod cp_subsys_types.mod qmmm_types_low.mod qs_environment_types.mod shell_potential_types.mod input_section_types.mod molecule_kind_types.mod particle_list_types.mod external_potential_types.mod cell_types.mod particle_types.mod pair_potential_types.mod atomic_kind_list_types.mod force_fields_input.mod qmmm_elpot.mod cp_log_handling.mod cp_output_handling.mod qmmm_gaussian_init.mod cp_units.mod input_constants.mod kinds.mod cell_methods.mod cp_eri_mme_interface.mod qmmm_ff_fist.mod base_hooks.mod qmmm_per_elpot.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_core_matrix.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod semi_empirical_types.mod virial_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod virial_methods.mod cp_dbcsr_operations.mod qs_overlap.mod semi_empirical_utils.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F se_core_matrix.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dos.mod' due to: qs_dos.o /build/reproducible-path/cp2k-2023.1/src/qs_dos.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kpoint_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod input_section_types.mod qs_mo_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:187:13: +/build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F:195:13: - 187 | IF (jatom /= last_jatom) THEN + 195 | IF (jatom /= last_jatom) THEN | ^ Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F:79:97: +/build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F:82:19: - 79 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^ + 82 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & + | ^ note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_forces.mod' due to: rt_propagation_forces.o /build/reproducible-path/cp2k-2023.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod admm_types.mod particle_types.mod rt_propagation_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_overlap.mod kinds.mod mathconstants.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_core_core.mod' due to: se_core_core.o /build/reproducible-path/cp2k-2023.1/src/se_core_core.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod input_constants.mod kinds.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_integrals.mod message_passing.mod virial_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'stm_images.o' due to: /build/reproducible-path/cp2k-2023.1/src/stm_images.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod particle_list_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_array_utils.mod qs_collocate_density.mod cp_fm_basic_linalg.mod base_hooks.mod cp_realspace_grid_cube.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_core_matrix.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_window.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_window.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod pw_types.mod pw_pool_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod pw_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod iterate_matrix.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy_window.F qs_energy_window.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'stm_images.o' due to: /build/reproducible-path/cp2k-2023.1/src/stm_images.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod pw_types.mod qs_mo_types.mod pw_pool_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod qs_collocate_density.mod cp_array_utils.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/stm_images.F stm_images.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:885:43: - - 885 | i_first = inotconv_set(j, 1) - | ^ -Warning: 'inotconv_set.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:488:83: - - 488 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set - | ^ -note: 'inotconv_set.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:886:42: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_window.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F:198:13: - 886 | i_last = inotconv_set(j, 2) - | ^ -Warning: 'inotconv_set.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:488:83: + 198 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F:83:19: - 488 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set - | ^ -note: 'inotconv_set.offset' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_wfn_mix.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod particle_types.mod qs_kind_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_mo_io.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod qs_mo_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' stm_images.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_window.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_window.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod particle_list_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy_window.F qs_energy_window.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_wfn_mix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_window.F90 + 83 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & + | ^ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_elf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho_types.mod pw_types.mod qs_collocate_density.mod base_hooks.mod mathconstants.mod kinds.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_elf_methods.F qs_elf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' stm_images.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_csr_write.mod' due to: qs_scf_csr_write.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod base_hooks.mod cp_dbcsr_cp2k_link.mod cp_log_handling.mod kpoint_methods.mod kinds.mod cp_dbcsr_operations.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_elf_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'population_analyses.o' due to: /build/reproducible-path/cp2k-2023.1/src/population_analyses.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod qs_kind_types.mod cp_result_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod cp_result_methods.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod cp_dbcsr_output.mod cp_fm_struct.mod particle_methods.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/population_analyses.F population_analyses.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_wfn_mix.mod' due to: qs_scf_wfn_mix.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod qs_scf_types.mod qs_kind_types.mod qs_mo_types.mod cp_fm_types.mod base_hooks.mod cp_fm_struct.mod cp_fm_basic_linalg.mod qs_mo_methods.mod kinds.mod qs_mo_io.mod cp_dbcsr_operations.mod +true /build/reproducible-path/cp2k-2023.1/src/qs_energy_window.F:141:15: 141 | stride = section_get_ivals(dft_section, "PRINT%ENERGY_WINDOWS%STRIDE") | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mao_methods.mod' due to: mao_methods.o /build/reproducible-path/cp2k-2023.1/src/mao_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod basis_set_container_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod kinds.mod cp_fm_diag.mod kpoint_methods.mod lapack.mod message_passing.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_interactions.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_epr_hyp.mod' due to: qs_epr_hyp.o /build/reproducible-path/cp2k-2023.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_rho_atom_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod pw_methods.mod periodic_table.mod kinds.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_chargemol.mod' due to: qs_chargemol.o /build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_mo_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod machine.mod cp_dbcsr_operations.mod periodic_table.mod kinds.mod orbital_transformation_matrices.mod orbital_pointers.mod orbital_symbols.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mao_methods.mod' due to: mao_methods.o /build/reproducible-path/cp2k-2023.1/src/mao_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod basis_set_container_types.mod cp_fm_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod lapack.mod qs_interactions.mod message_passing.mod kinds.mod iterate_matrix.mod input_constants.mod base_hooks.mod cp_fm_struct.mod kpoint_methods.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xray_diffraction.mod' due to: xray_diffraction.o /build/reproducible-path/cp2k-2023.1/src/xray_diffraction.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod paw_proj_set_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod physcon.mod pw_methods.mod kinds.mod pw_grids.mod mathconstants.mod memory_utilities.mod util.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' population_analyses.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecular_states.o' due to: /build/reproducible-path/cp2k-2023.1/src/molecular_states.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod molecule_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod bibliography.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/molecular_states.F molecular_states.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'wannier_states.mod' due to: wannier_states.o /build/reproducible-path/cp2k-2023.1/src/wannier_states.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod wannier_states_types.mod cp_para_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod cp_units.mod cp_fm_struct.mod cp_log_handling.mod kinds.mod cp_dbcsr_operations.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_resp.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_resp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod uff_vdw_radii_table.mod cp_output_handling.mod pw_methods.mod machine.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod atomic_charges.mod mathconstants.mod qs_collocate_density.mod memory_utilities.mod pw_poisson_methods.mod message_passing.mod kahan_sum.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_resp.F qs_resp.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1654:33: - - 1654 | e8tot = e8tot - e8 - | ^ -Warning: 'e8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1265:88: - - 1265 | de921, de922, dea, devdw, dfdab6, dfdab8, dfdabc, dfdmp, dr, drk, e6, e6tot, e8, e8tot, & - | ^ -note: 'e8' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1653:33: - - 1653 | e6tot = e6tot - e6 - | ^ -Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1265:77: - - 1265 | de921, de922, dea, devdw, dfdab6, dfdab8, dfdabc, dfdmp, dr, drk, e6, e6tot, e8, e8tot, & - | ^ -note: 'e6' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1672:53: - - 1672 | fdij(:) = (de6 + de8)*rij(:)/dr*fac - | ^ -Warning: 'de8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1264:87: - - 1264 | dc8a, dc8b, dcc6aba, dcc6abb, dcc6bcb, dcc6bcc, dcc6caa, dcc6cac, dd, de6, de8, de91, & - | ^ -note: 'de8' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1672:53: +/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:427:19: - 1672 | fdij(:) = (de6 + de8)*rij(:)/dr*fac - | ^ -Warning: 'de6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1264:82: + 427 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) + | ^ +Warning: 'makes' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:803:20: - 1264 | dc8a, dc8b, dcc6aba, dcc6abb, dcc6bcb, dcc6bcc, dcc6caa, dcc6cac, dd, de6, de8, de91, & - | ^ -note: 'de6' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1844:117: + 803 | SUBROUTINE makedS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, dS) + | ^ +Warning: 'makeds' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecular_states.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecular_dipoles.o' due to: /build/reproducible-path/cp2k-2023.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod distribution_1d_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod moments_utils.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/molecular_dipoles.F molecular_dipoles.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_dipole.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod particle_types.mod qs_loc_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod cp_control_types.mod input_section_types.mod cp_result_methods.mod base_hooks.mod cp_log_handling.mod mathconstants.mod kinds.mod physcon.mod moments_utils.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_dipole.F qs_loc_dipole.F90 +/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:373:66: - 1844 | force(jkind)%dispersion(:, atom_b) = force(jkind)%dispersion(:, atom_b) + fdij(:) - | ^ + 373 | force(jkind)%all_potential(:, atom_b) + force_ab(:) + | ^ Warning: 'atom_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1254:31: +/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:87:38: - 1254 | INTEGER :: atom_a, atom_b, atom_c, atom_d, handle, hashb, hashc, i, ia, iat, iatom, icx, & - | ^ + 87 | INTEGER :: after, atom_a, atom_b, handle, i, iatom, icol, icor, ikind, inode, irow, itype, & + | ^ note: 'atom_b' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1843:117: +/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:371:66: - 1843 | force(ikind)%dispersion(:, atom_a) = force(ikind)%dispersion(:, atom_a) - fdij(:) - | ^ + 371 | force(ikind)%all_potential(:, atom_a) - force_ab(:) + | ^ Warning: 'atom_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1254:23: +/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:87:30: - 1254 | INTEGER :: atom_a, atom_b, atom_c, atom_d, handle, hashb, hashc, i, ia, iat, iatom, icx, & - | ^ + 87 | INTEGER :: after, atom_a, atom_b, handle, i, iatom, icol, icor, ikind, inode, irow, itype, & + | ^ note: 'atom_a' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1628:19: - - 1628 | IF (idmp == 1) THEN - | ^ -Warning: 'alp8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1263:41: - - 1263 | REAL(KIND=dp) :: a1, a2, alp6, alp8, ang, c6, c8, c9, cc6ab, cc6bc, cc6ca, cnum, dc6a, dc6b, & - | ^ -note: 'alp8' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1628:19: - - 1628 | IF (idmp == 1) THEN - | ^ -Warning: 'alp6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1263:35: - - 1263 | REAL(KIND=dp) :: a1, a2, alp6, alp8, ang, c6, c8, c9, cc6ab, cc6bc, cc6ca, cnum, dc6a, dc6b, & - | ^ -note: 'alp6' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:2055:111: - - 2055 | elrc9 = elrc9 - s9*64._dp*twopi*REAL(na*nb*nc, KIND=dp)*c9/(6._dp*rcut**3*cell%deth**2) - | ^ -Warning: 's9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1268:68: - - 1268 | rabc, rc2, rcc, rcut, rs6, rs8, s1, s2, s3, s6, s8, s8i, s9, srbe, ssrb, t1srb, t2srb, xp - | ^ -note: 's9' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1694:27: - - 1694 | ELSE IF (idmp == 2) THEN - | ^ -Warning: 'idmp' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1255:23: - - 1255 | icy, icz, idmp, ikind, ilist, imol, jatom, jkind, katom, kkind, kstart, latom, lkind, & - | ^ -note: 'idmp' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:2159:10: - - 2159 | IF (domol) THEN - | ^ -Warning: 'domol' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1260:67: - - 1260 | LOGICAL :: atenergy, atstress, debug, debugall, debugx, domol, exclude_pair, floating_a, & - | ^ -note: 'domol' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1605:68: - - 1605 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac - | ^ -Warning: 'atener.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1275:66: - - 1275 | REAL(KIND=dp), DIMENSION(:), POINTER :: atener - | ^ -note: 'atener.dim[0].stride' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1605:68: - - 1605 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac - | ^ -Warning: 'atener.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1275:66: - - 1275 | REAL(KIND=dp), DIMENSION(:), POINTER :: atener - | ^ -note: 'atener.offset' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1605:68: - - 1605 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac - | ^ -Warning: 'atener.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F:1275:66: - - 1275 | REAL(KIND=dp), DIMENSION(:), POINTER :: atener - | ^ -note: 'atener.data' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_elf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_rho_types.mod qs_ks_types.mod pw_pool_types.mod pw_types.mod qs_environment_types.mod mathconstants.mod qs_collocate_density.mod kinds.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_elf_methods.F qs_elf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_resp.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:429:43: - - 429 | i_first = inotconv_set(j, 1) - | ^ -Warning: 'inotconv_set.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:92:83: - - 92 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set - | ^ -note: 'inotconv_set.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:430:42: - - 430 | i_last = inotconv_set(j, 2) - | ^ -Warning: 'inotconv_set.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:92:83: - - 92 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set - | ^ -note: 'inotconv_set.offset' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'wannier_states.mod' due to: wannier_states.o /build/reproducible-path/cp2k-2023.1/src/wannier_states.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod input_section_types.mod wannier_states_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_units.mod parallel_gemm_api.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecular_states.o' due to: /build/reproducible-path/cp2k-2023.1/src/molecular_states.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod input_section_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod qs_collocate_density.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/molecular_states.F molecular_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_elf_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dos.mod' due to: qs_dos.o /build/reproducible-path/cp2k-2023.1/src/qs_dos.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_mo_types.mod kpoint_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_csr_write.mod' due to: qs_scf_csr_write.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_csr_write.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_dbcsr_operations.mod cp_log_handling.mod cp_dbcsr_cp2k_link.mod kinds.mod kpoint_methods.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecular_dipoles.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_chargemol.mod' due to: qs_chargemol.o /build/reproducible-path/cp2k-2023.1/src/qs_chargemol.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod qs_kind_types.mod qs_mo_types.mod qs_scf_types.mod kpoint_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod cp_dbcsr_operations.mod cp_files.mod cp_log_handling.mod kinds.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod orbital_transformation_matrices.mod periodic_table.mod orbital_symbols.mod machine.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecular_states.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_commutators.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_commutators.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_kind_types.mod commutator_rpnl.mod cp_dbcsr_operations.mod commutator_rkinetic.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_dipole.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_commutators.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_commutators.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_control_types.mod base_hooks.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod commutator_rkinetic.mod kinds.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_commutators.F qs_commutators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_commutators.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:524:10: - - 524 | IF (distributed_grids) THEN - | ^ -Warning: 'distributed_grids' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F:127:84: - - 127 | LOGICAL :: atom_pair_changed, atom_pair_done, dh_duplicated, distributed_grids, found, & - | ^ -note: 'distributed_grids' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_external_potential.mod' due to: qs_external_potential.o /build/reproducible-path/cp2k-2023.1/src/qs_external_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod input_section_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod force_fields_util.mod fparser.mod string_utilities.mod kinds.mod maxwell_solver_interface.mod message_passing.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xray_diffraction.mod' due to: xray_diffraction.o /build/reproducible-path/cp2k-2023.1/src/xray_diffraction.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho_atom_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod paw_proj_set_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod bibliography.mod memory_utilities.mod mathconstants.mod pw_methods.mod util.mod message_passing.mod kinds.mod pw_grids.mod physcon.mod orbital_pointers.mod base_hooks.mod orbital_transformation_matrices.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_external_density.mod' due to: qs_external_density.o /build/reproducible-path/cp2k-2023.1/src/qs_external_density.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod pw_env_types.mod input_section_types.mod qs_rho_types.mod realspace_grid_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod message_passing.mod rs_pw_interface.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod pw_methods.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gcp_method.mod' due to: qs_gcp_method.o /build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_force_types.mod qs_kind_types.mod atomic_kind_types.mod virial_types.mod cell_types.mod qs_gcp_types.mod particle_types.mod atprop_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_para_types.mod message_passing.mod virial_methods.mod ai_overlap.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_commutators.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_resp.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_resp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod qs_collocate_density.mod pw_poisson_methods.mod bibliography.mod memory_utilities.mod cp_units.mod uff_vdw_radii_table.mod mathconstants.mod pw_methods.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod periodic_table.mod cp_realspace_grid_cube.mod atomic_charges.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_resp.F qs_resp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_distribution_methods.mod' due to: qs_fb_distribution_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod qs_fb_env_types.mod qs_fb_atomic_halo_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod util.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_fb_env_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_fb_trial_fns_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_fb_atomic_halo_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_diis.mod cp_fm_cholesky.mod qs_integral_utils.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod qs_density_matrices.mod cp_fm_basic_linalg.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod qs_mo_occupation.mod qs_fb_filter_matrix_methods.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_resp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fb_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod qs_mo_types.mod qs_fb_atomic_halo_types.mod qs_scf_types.mod qs_fb_trial_fns_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_fb_env_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod string_utilities.mod cp_units.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod qs_mo_occupation.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod qs_fb_filter_matrix_methods.mod cp_blacs_env.mod cp_fm_diag.mod qs_integral_utils.mod qs_diis.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_methods.F qs_fb_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_env_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_distribution_methods.mod' due to: qs_fb_distribution_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_distribution_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod qs_fb_env_types.mod cell_types.mod input_section_types.mod particle_types.mod qs_fb_atomic_halo_types.mod qs_environment_types.mod cp_para_types.mod cp_log_handling.mod kinds.mod cp_output_handling.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'basis_set_output.mod' due to: basis_set_output.o /build/reproducible-path/cp2k-2023.1/src/basis_set_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_kind_types.mod basis_set_types.mod input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp2k_info.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_matrix_w.mod' due to: qs_matrix_w.o /build/reproducible-path/cp2k-2023.1/src/qs_matrix_w.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_fm_types.mod qs_rho_types.mod qs_mo_types.mod kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod cp_fm_struct.mod kinds.mod kpoint_methods.mod qs_density_matrices.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_grids.mod' due to: mp2_grids.o /build/reproducible-path/cp2k-2023.1/src/mp2_grids.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod input_section_types.mod qs_mo_types.mod kpoint_types.mod qs_environment_types.mod cp_para_types.mod minimax_rpa.mod minimax_exp.mod minimax_exp_gw.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod cp_para_env.mod machine.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_kernel.mod' due to: xas_tdp_kernel.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod xas_tdp_types.mod distribution_2d_types.mod qs_environment_types.mod cp_para_types.mod message_passing.mod cp_dbcsr_operations.mod qs_integral_utils.mod kinds.mod util.mod base_hooks.mod dbt_api.mod particle_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_scf_utils.mod' due to: qs_cdft_scf_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod scf_control_types.mod cp_para_types.mod qs_environment_types.mod cp_control_types.mod mathlib.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod qs_o3c_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod xas_tdp_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod libint_wrapper.mod qs_integral_utils.mod particle_methods.mod qs_neighbor_lists.mod cp_files.mod libint_2c_3c.mod generic_os_integrals.mod mathlib.mod cp_dbcsr_operations.mod gamma.mod input_constants.mod constants_operator.mod t_c_g0.mod kinds.mod ai_contraction_sphi.mod cp_eri_mme_interface.mod dbt_api.mod cp_array_utils.mod cp_blacs_env.mod eri_mme_integrate.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_integrals.F xas_tdp_integrals.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'et_coupling.mod' due to: et_coupling.o /build/reproducible-path/cp2k-2023.1/src/et_coupling.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod cp_fm_pool_types.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod kinds.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod qs_matrix_pools.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_integrals.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'et_coupling_proj.o' due to: /build/reproducible-path/cp2k-2023.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod pw_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod orbital_pointers.mod parallel_gemm_api.mod qs_mo_occupation.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/et_coupling_proj.F et_coupling_proj.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' et_coupling_proj.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_stda_types.mod' due to: qs_tddfpt2_stda_types.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_core_core.mod' due to: se_core_core.o /build/reproducible-path/cp2k-2023.1/src/se_core_core.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod semi_empirical_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod atprop_types.mod ewald_environment_types.mod virial_methods.mod semi_empirical_int_arrays.mod message_passing.mod semi_empirical_utils.mod semi_empirical_integrals.mod kinds.mod input_constants.mod base_hooks.mod true /build/reproducible-path/cp2k-2023.1/src/mp2_eri.F:1517:38: @@ -58837,115 +58840,64 @@ 1505 | FUNCTION convert_potential_type(potential_type) RESULT(res) | ^ note: 'res' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_nmr_utils.mod' due to: qs_linres_nmr_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod scf_control_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod pw_env_types.mod particle_types.mod qs_linres_types.mod qs_environment_types.mod cp_control_types.mod cp_units.mod cp_parser_methods.mod cp_log_handling.mod qs_matrix_pools.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_epr_utils.mod' due to: qs_linres_epr_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod kinds.mod mathconstants.mod qs_matrix_pools.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gcp_method.mod' due to: qs_gcp_method.o /build/reproducible-path/cp2k-2023.1/src/qs_gcp_method.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_neighbor_list_types.mod atprop_types.mod qs_gcp_types.mod qs_force_types.mod qs_kind_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod virial_methods.mod kinds.mod physcon.mod ai_overlap.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_dmfet_potential.mod' due to: optimize_dmfet_potential.o /build/reproducible-path/cp2k-2023.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod embed_types.mod input_section_types.mod qs_mo_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod parallel_gemm_api.mod cp_blacs_env.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fb_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_external_density.mod' due to: qs_external_density.o /build/reproducible-path/cp2k-2023.1/src/qs_external_density.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod cell_types.mod qs_environment_types.mod qs_rho_types.mod pw_types.mod realspace_grid_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod message_passing.mod rs_pw_interface.mod kinds.mod pw_methods.mod cp_files.mod gaussian_gridlevels.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_hfx_utils.mod' due to: rt_hfx_utils.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_types.mod qs_rho_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod cp_dbcsr_operations.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_dispersion.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod atprop_types.mod qs_kind_types.mod virial_types.mod qs_dftb_types.mod cp_para_types.mod particle_types.mod virial_methods.mod qs_dftb_utils.mod message_passing.mod kinds.mod input_constants.mod base_hooks.mod qs_dispersion_pairpot.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_external_potential.mod' due to: qs_external_potential.o /build/reproducible-path/cp2k-2023.1/src/qs_external_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod particle_types.mod cell_types.mod pw_grid_types.mod input_section_types.mod force_fields_util.mod string_utilities.mod maxwell_solver_interface.mod message_passing.mod cp_log_handling.mod kinds.mod fparser.mod base_hooks.mod cp_realspace_grid_cube.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt_types.mod' due to: qs_tddfpt_types.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_p_env_types.mod cp_fm_types.mod cp_fm_pool_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod cp_fm_struct.mod qs_matrix_pools.mod cp_blacs_env.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_epr_hyp.mod' due to: qs_epr_hyp.o /build/reproducible-path/cp2k-2023.1/src/qs_epr_hyp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod qs_harmonics_atom.mod mathconstants.mod pw_methods.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod periodic_table.mod qs_grid_atom.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optbas_opt_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod qs_neighbor_lists.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod qs_condnum.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optbas_opt_utils.F optbas_opt_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'library_tests.o' due to: /build/reproducible-path/cp2k-2023.1/src/library_tests.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod cp_para_types.mod cp_fm_types.mod input_section_types.mod pw_grid_types.mod cell_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod fft_tools.mod pw_methods.mod cp_files.mod machine.mod cp_fm_struct.mod ai_coulomb_test.mod cp_realspace_grid_init.mod input_constants.mod mp2_grids.mod kinds.mod cp_eri_mme_interface.mod cp_fm_diag.mod minimax_exp.mod pw_grids.mod cg_test.mod shg_integrals_test.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod dbm_tests.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/library_tests.F library_tests.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optbas_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' library_tests.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_types.mod' due to: qmmm_types.o /build/reproducible-path/cp2k-2023.1/src/qmmm_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod fist_environment_types.mod qs_energy_types.mod fist_energy_types.mod cp_subsys_types.mod qmmm_types_low.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_forces.mod' due to: rt_propagation_forces.o /build/reproducible-path/cp2k-2023.1/src/rt_propagation_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_mo_types.mod admm_types.mod particle_types.mod rt_propagation_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod mathconstants.mod qs_overlap.mod kinds.mod base_hooks.mod cp_fm_struct.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'voronoi_interface.mod' due to: voronoi_interface.o /build/reproducible-path/cp2k-2023.1/src/voronoi_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod pw_grid_types.mod molecule_kind_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_files.mod input_constants.mod kinds.mod mathconstants.mod message_passing.mod orbital_pointers.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_dispersion.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_scf_utils.mod' due to: qs_cdft_scf_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_scf_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_scf_types.mod scf_control_types.mod cp_para_types.mod cp_control_types.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod cp_files.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_integrate_potential_single.mod' due to: qs_integrate_potential_single.o /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_single.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod lri_environment_types.mod qs_environment_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod ao_util.mod rs_pw_interface.mod kinds.mod gaussian_gridlevels.mod memory_utilities.mod grid_api.mod message_passing.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'basis_set_output.mod' due to: basis_set_output.o /build/reproducible-path/cp2k-2023.1/src/basis_set_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod qs_environment_types.mod qs_kind_types.mod input_section_types.mod cp2k_info.mod base_hooks.mod cp_log_handling.mod kinds.mod cp_files.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_integrate_potential_product.mod' due to: qs_integrate_potential_product.o /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential_product.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod task_list_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod admm_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_dbcsr_operations.mod ao_util.mod rs_pw_interface.mod input_constants.mod kinds.mod gaussian_gridlevels.mod task_list_methods.mod grid_api.mod message_passing.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_matrix_w.mod' due to: qs_matrix_w.o /build/reproducible-path/cp2k-2023.1/src/qs_matrix_w.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 kpoint_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod kpoint_methods.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho0_methods.mod' due to: qs_rho0_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_rho0_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod qs_local_rho_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod input_section_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod qs_oce_methods.mod cp_log_handling.mod cp_output_handling.mod ao_util.mod kinds.mod mathconstants.mod qs_grid_atom.mod memory_utilities.mod qs_harmonics_atom.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_im_time_force_types.mod' due to: rpa_im_time_force_types.o /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod base_hooks.mod dbt_api.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_operators_ao.mod' due to: qs_operators_ao.o /build/reproducible-path/cp2k-2023.1/src/qs_operators_ao.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_environment_types.mod block_p_types.mod cp_para_types.mod ai_moments.mod ai_os_rr.mod orbital_pointers.mod mathconstants.mod cp_log_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_grids.mod' due to: mp2_grids.o /build/reproducible-path/cp2k-2023.1/src/mp2_grids.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod kpoint_types.mod qs_environment_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod base_hooks.mod minimax_exp_gw.mod message_passing.mod minimax_exp.mod cp_para_env.mod machine.mod mathconstants.mod kinds.mod minimax_rpa.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_dbcsr_output.mod' due to: cp_dbcsr_output.o /build/reproducible-path/cp2k-2023.1/src/cp_dbcsr_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod basis_set_types.mod cp_fm_types.mod particle_types.mod qs_environment_types.mod cp_para_types.mod mathlib.mod message_passing.mod orbital_pointers.mod cp_log_handling.mod kinds.mod base_hooks.mod particle_methods.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_epr_utils.mod' due to: qs_linres_epr_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_linres_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_matrix_pools.mod mathconstants.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'moments_utils.mod' due to: moments_utils.o /build/reproducible-path/cp2k-2023.1/src/moments_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_environment_types.mod qs_kind_types.mod atomic_kind_types.mod cell_types.mod particle_types.mod qs_environment_types.mod distribution_1d_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_nmr_utils.mod' due to: qs_linres_nmr_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod particle_types.mod cp_parser_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_linres_types.mod scf_control_types.mod cp_control_types.mod input_section_types.mod base_hooks.mod qs_matrix_pools.mod cp_units.mod memory_utilities.mod cp_log_handling.mod cp_parser_methods.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_environment_init.mod' due to: lri_environment_init.o /build/reproducible-path/cp2k-2023.1/src/lri_environment_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod qs_kind_types.mod input_section_types.mod lri_environment_types.mod cp_control_types.mod mathlib.mod ao_util.mod bibliography.mod generic_shg_integrals.mod mathconstants.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'et_coupling.mod' due to: et_coupling.o /build/reproducible-path/cp2k-2023.1/src/et_coupling.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod cp_para_types.mod input_section_types.mod parallel_gemm_api.mod qs_matrix_pools.mod cp_dbcsr_operations.mod mathlib.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_operators.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_operators.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod lapack.mod mathlib.mod mathconstants.mod periodic_table.mod input_constants.mod qs_grid_atom.mod dkh_main.mod physcon.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_operators.F atom_operators.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ot_types.mod preconditioner_types.mod message_passing.mod cp_dbcsr_cholesky.mod preconditioner.mod arnoldi_api.mod cp_dbcsr_diag.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot.F qs_ot.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param_exp.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param_exp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod basis_set_types.mod pao_types.mod qs_kind_types.mod mathlib.mod kinds.mod base_hooks.mod pao_potentials.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param_exp.F pao_param_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_operators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param_exp.F90 -/build/reproducible-path/cp2k-2023.1/src/library_tests.F:930:21: - - 930 | ELSE IF (is_fullspace) THEN - | ^ -Warning: 'is_fullspace' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/library_tests.F:836:79: - - 836 | LOGICAL :: debug, is_fullspace, odd, & - | ^ -note: 'is_fullspace' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1111:25: - - 1111 | IF (dist(m) < rmin + delta) not_in_range(m, 1) = .TRUE. - | ^ -Warning: 'rmin' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1048:93: - - 1048 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & - | ^ -note: 'rmin' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1112:25: - - 1112 | IF (dist(m) > rmax - delta) not_in_range(m, 2) = .TRUE. - | ^ -Warning: 'rmax' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1048:87: - - 1048 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & - | ^ -note: 'rmax' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1150:22: - - 1150 | IF (in_z*in_y*in_x == 0) CYCLE - | ^ -Warning: 'in_z' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1044:83: - - 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & - | ^ -note: 'in_z' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1044:77: - - 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & - | ^ -Warning: 'in_y' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1044:71: - - 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & - | ^ -Warning: 'in_x' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param_linpot.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod machine.mod mathlib.mod pao_input.mod kinds.mod pao_potentials.mod message_passing.mod pao_param_fock.mod pao_linpot_rotinv.mod base_hooks.mod pao_linpot_full.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param_linpot.F pao_param_linpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:36:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param_linpot.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param_gth.mod' due to: pao_param_gth.o /build/reproducible-path/cp2k-2023.1/src/pao_param_gth.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod dm_ls_scf_types.mod cell_types.mod pao_types.mod particle_types.mod qs_kind_types.mod message_passing.mod orbital_pointers.mod pao_param_fock.mod iterate_matrix.mod arnoldi_api.mod kinds.mod base_hooks.mod pao_potentials.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'et_coupling_proj.o' due to: /build/reproducible-path/cp2k-2023.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod kpoint_types.mod particle_types.mod cell_types.mod particle_list_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod bibliography.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod physcon.mod qs_mo_occupation.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/et_coupling_proj.F et_coupling_proj.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_stda_types.mod' due to: qs_tddfpt2_stda_types.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod cp_control_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_ml_descriptor.mod' due to: pao_ml_descriptor.o /build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod cell_types.mod pao_types.mod particle_types.mod qs_kind_types.mod mathlib.mod mathconstants.mod pao_input.mod kinds.mod util.mod base_hooks.mod pao_potentials.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod basis_set_types.mod qs_kind_types.mod eri_mme_types.mod cp_para_types.mod qs_o3c_types.mod particle_types.mod cell_types.mod xas_tdp_types.mod distribution_2d_types.mod input_section_types.mod cp_array_utils.mod cp_eri_mme_interface.mod gamma.mod cp_dbcsr_operations.mod cp_files.mod libint_wrapper.mod ai_contraction_sphi.mod mathlib.mod t_c_g0.mod dbt_api.mod generic_os_integrals.mod message_passing.mod libint_2c_3c.mod kinds.mod input_constants.mod eri_mme_integrate.mod orbital_pointers.mod qs_neighbor_lists.mod base_hooks.mod constants_operator.mod particle_methods.mod cp_blacs_env.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_integrals.F xas_tdp_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_kernel.mod' due to: xas_tdp_kernel.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_kernel.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod qs_environment_types.mod xas_tdp_types.mod distribution_2d_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod dbt_api.mod message_passing.mod particle_methods.mod kinds.mod cp_dbcsr_operations.mod qs_integral_utils.mod util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_environment_methods.mod' due to: lri_environment_methods.o /build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod lri_integrals.mod core_ppl.mod cp_output_handling.mod generic_os_integrals.mod mathlib.mod input_constants.mod kinds.mod qs_collocate_density.mod message_passing.mod lri_compression.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' et_coupling_proj.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_efield_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod particle_types.mod fist_efield_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod fist_environment_types.mod cp_result_methods.mod base_hooks.mod moments_utils.mod mathconstants.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_efield_methods.F fist_efield_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_dmfet_potential.mod' due to: optimize_dmfet_potential.o /build/reproducible-path/cp2k-2023.1/src/optimize_dmfet_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_environment_types.mod embed_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod cp_control_types.mod parallel_gemm_api.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ri_environment_methods.mod' due to: ri_environment_methods.o /build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_o3c_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod lri_environment_types.mod pw_types.mod cp_dbcsr_operations.mod qs_overlap.mod qs_o3c_methods.mod iterate_matrix.mod cp_dbcsr_diag.mod kinds.mod cp_blacs_env.mod qs_collocate_density.mod util.mod message_passing.mod arnoldi_api.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_velocity_gauge.o' due to: /build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod external_potential_types.mod virial_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod sap_kind_types.mod input_section_types.mod cp_dbcsr_cp2k_link.mod core_ppnl.mod cp_dbcsr_operations.mod bibliography.mod mathconstants.mod ai_moments.mod kinds.mod orbital_pointers.mod base_hooks.mod qs_operators_ao.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F rt_propagation_velocity_gauge.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_hfx_utils.mod' due to: rt_hfx_utils.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_hfx_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod admm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod cp_control_types.mod base_hooks.mod cp_dbcsr_cp2k_link.mod kinds.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_dm_methods.mod' due to: admm_dm_methods.o /build/reproducible-path/cp2k-2023.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_dm_types.mod task_list_types.mod admm_types.mod qs_rho_types.mod qs_ks_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod cp_dbcsr_operations.mod cp_log_handling.mod iterate_matrix.mod input_constants.mod qs_collocate_density.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_efield_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_velocity_gauge.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_velocity_gauge.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt_types.mod' due to: qs_tddfpt_types.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_environment_types.mod qs_p_env_types.mod cp_para_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod qs_matrix_pools.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dft_plus_u.o' due to: /build/reproducible-path/cp2k-2023.1/src/dft_plus_u.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod particle_methods.mod cp_dbcsr_output.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod orbital_symbols.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dft_plus_u.F dft_plus_u.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dft_plus_u.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optbas_opt_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod distribution_1d_types.mod basis_set_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod kinds.mod qs_neighbor_lists.mod qs_condnum.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optbas_opt_utils.F optbas_opt_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'library_tests.o' due to: /build/reproducible-path/cp2k-2023.1/src/library_tests.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod input_section_types.mod global_types.mod cp_para_types.mod cell_types.mod pw_grid_types.mod parallel_rng_types.mod cp_fm_types.mod parallel_gemm_api.mod minimax_exp.mod ai_coulomb_test.mod cp_eri_mme_interface.mod cp_realspace_grid_init.mod cp_files.mod pw_methods.mod dbm_tests.mod message_passing.mod cp_fm_basic_linalg.mod mp2_grids.mod cp_log_handling.mod shg_integrals_test.mod kinds.mod input_constants.mod pw_grids.mod cp_output_handling.mod base_hooks.mod cg_test.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod fft_tools.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/library_tests.F library_tests.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optbas_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:47 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' library_tests.F90 /build/reproducible-path/cp2k-2023.1/src/hfx_energy_potential.F:1445:28: 1445 | IF (do_p_screening) THEN @@ -59070,6 +59022,71 @@ 222 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk | ^ note: 'maxval_cache_disk' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmmx_types.F qmmmx_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dispersion_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod qs_dispersion_pairpot.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dispersion_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/library_tests.F:930:21: + + 930 | ELSE IF (is_fullspace) THEN + | ^ +Warning: 'is_fullspace' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/library_tests.F:836:79: + + 836 | LOGICAL :: debug, is_fullspace, odd, & + | ^ +note: 'is_fullspace' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_ml_descriptor.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pao_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod base_hooks.mod pao_potentials.mod mathconstants.mod kinds.mod util.mod mathlib.mod pao_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1111:25: + + 1111 | IF (dist(m) < rmin + delta) not_in_range(m, 1) = .TRUE. + | ^ +Warning: 'rmin' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1048:93: + + 1048 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & + | ^ +note: 'rmin' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1112:25: + + 1112 | IF (dist(m) > rmax - delta) not_in_range(m, 2) = .TRUE. + | ^ +Warning: 'rmax' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1048:87: + + 1048 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & + | ^ +note: 'rmax' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1150:22: + + 1150 | IF (in_z*in_y*in_x == 0) CYCLE + | ^ +Warning: 'in_z' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1044:83: + + 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & + | ^ +note: 'in_z' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1044:77: + + 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & + | ^ +Warning: 'in_y' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_resp.F:1044:71: + + 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & + | ^ +Warning: 'in_x' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_ml_descriptor.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param_gth.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param_gth.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pao_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod dm_ls_scf_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod arnoldi_api.mod message_passing.mod pao_param_fock.mod pao_potentials.mod machine.mod kinds.mod orbital_pointers.mod iterate_matrix.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param_gth.F pao_param_gth.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param_exp.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param_exp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pao_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod pao_potentials.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param_exp.F pao_param_exp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param_gth.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param_exp.F90 /build/reproducible-path/cp2k-2023.1/src/qs_resp.F:858:16: 858 | IF (dist(i) < rmin + delta) not_in_range(i, 1) = .TRUE. @@ -59090,15 +59107,83 @@ 777 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & | ^ note: 'rmax' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_ks_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_o3c_types.mod lri_environment_types.mod qs_neighbor_list_types.mod qs_o3c_methods.mod lri_compression.mod ri_environment_methods.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_ks_methods.F lri_ks_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_ks_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod cp_ddapc_types.mod pw_pool_types.mod qs_charges_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod input_constants.mod kinds.mod atomic_charges.mod cp_ddapc_forces.mod cp_ddapc_methods.mod mathconstants.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_util.F cp_ddapc_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod xtb_types.mod pw_poisson_types.mod atprop_types.mod sap_kind_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod qmmm_tb_coulomb.mod qs_integral_utils.mod ai_contraction.mod kinds.mod ai_overlap.mod mathconstants.mod message_passing.mod qs_dftb3_methods.mod virial_methods.mod orbital_pointers.mod ewald_methods_tb.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param_linpot.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod basis_set_types.mod pao_types.mod qs_kind_types.mod cp_para_types.mod particle_types.mod pao_linpot_full.mod pao_potentials.mod pao_linpot_rotinv.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod pao_param_fock.mod machine.mod pao_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param_linpot.F pao_param_linpot.F90 +/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:214:67: + + 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs + | ^ +Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:316:100: + + 316 | block_M(:, :) = block_M(:, :) + w*MATMUL(S_evecs(:, k:k), TRANSPOSE(S_evecs(:, k:k))) + | ^ +Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:214:67: + + 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs + | ^ +note: 'block_m.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:214:67: Warning: 'block_m.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:111:67: + + 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs + | ^ +Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:162:100: + + 162 | block_M(:, :) = block_M(:, :) + w*MATMUL(V_evecs(:, k:k), TRANSPOSE(V_evecs(:, k:k))) + | ^ +Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:111:67: + + 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs + | ^ +note: 'block_m.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.offset' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param_linpot.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ri_environment_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod pw_types.mod lri_environment_types.mod cp_para_types.mod qs_o3c_types.mod qs_rho_types.mod qs_collocate_density.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod arnoldi_api.mod qs_overlap.mod util.mod message_passing.mod kinds.mod iterate_matrix.mod base_hooks.mod cp_dbcsr_diag.mod cp_blacs_env.mod qs_o3c_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F ri_environment_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ri_environment_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_environment_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod core_ppl.mod qs_collocate_density.mod lri_integrals.mod mathlib.mod generic_os_integrals.mod message_passing.mod cp_log_handling.mod lri_compression.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F lri_environment_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_environment_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_operators.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_operators.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod base_hooks.mod atom_utils.mod periodic_table.mod dkh_main.mod ai_onecenter.mod qs_grid_atom.mod mathconstants.mod kinds.mod input_constants.mod physcon.mod mathlib.mod lapack.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_operators.F atom_operators.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'preconditioner.mod' due to: preconditioner.o /build/reproducible-path/cp2k-2023.1/src/preconditioner.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_types.mod qs_mo_types.mod cp_control_types.mod preconditioner_solvers.mod base_hooks.mod preconditioner_apply.mod qs_mo_methods.mod cp_blacs_env.mod preconditioner_makes.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_operators.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dft_plus_u.o' due to: /build/reproducible-path/cp2k-2023.1/src/dft_plus_u.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod qs_kind_types.mod virial_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod bibliography.mod mathlib.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod cp_fm_struct.mod particle_methods.mod orbital_symbols.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dft_plus_u.F dft_plus_u.F90 +/build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F:633:23: + + 633 | IF (symm .AND. (iatom /= jatom)) THEN + | ^ +Warning: 'symm' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F:599:64: + + 599 | LOGICAL :: symm + | ^ +note: 'symm' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dft_plus_u.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_integrate_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_integrate_potential_single.mod qs_integrate_potential_product.mod base_hooks.mod grid_api.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential.F qs_integrate_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_integrate_potential.F90 +/build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F:481:40: + + 481 | SUBROUTINE calculate_lri_overlap_aabb(lri_env, qs_env) + | ^ +Warning: 'calculate_lri_overlap_aabb' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_moments.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_moments.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod rt_propagation_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod bibliography.mod moments_utils.mod cp_result_methods.mod cp_cfm_basic_linalg.mod mathconstants.mod ai_moments.mod ai_angmom.mod message_passing.mod kinds.mod physcon.mod orbital_pointers.mod base_hooks.mod commutator_rpnl.mod cp_fm_struct.mod particle_methods.mod qs_operators_ao.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_moments.F qs_moments.F90 +/build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F:399:65: + + 399 | nspin + | ^ +Warning: 'nspin' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_moments.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod sap_kind_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod virial_types.mod xtb_types.mod cp_para_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod ai_contraction.mod virial_methods.mod mathconstants.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod ewald_methods_tb.mod ai_overlap.mod qs_dftb3_methods.mod qmmm_tb_coulomb.mod qs_integral_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F xtb_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_coulomb.F90 /build/reproducible-path/cp2k-2023.1/src/xas_tdp_integrals.F:497:96: 497 | !$OMP iabc,sabc,jset,kset,ncob,ncoc,sgfb,sgfc,egfb,egfc,sabc_ext,cpp_buffer,ccp_buffer) @@ -59109,57 +59194,91 @@ 301 | REAL(dp) :: dij, dik, djk, my_eps_screen, ri(3), & | ^ note: 'my_eps_screen' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_coulomb.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod pw_poisson_types.mod atprop_types.mod sap_kind_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_dftb_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod qmmm_tb_coulomb.mod qs_dftb_utils.mod kinds.mod mathconstants.mod message_passing.mod qs_dftb3_methods.mod virial_methods.mod ewald_methods_tb.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_coulomb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_loc_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod block_p_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_localization_methods.mod cp_output_handling.mod cp_files.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_fm_diag.mod cp_array_utils.mod qs_mo_methods.mod ai_moments.mod mathconstants.mod memory_utilities.mod cp_fm_basic_linalg.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_coulomb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_charges_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod cp_ddapc_types.mod qs_rho_types.mod input_section_types.mod cp_ddapc_methods.mod mathconstants.mod pw_methods.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod atomic_charges.mod cp_ddapc_forces.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_util.F cp_ddapc_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_dm_methods.mod' due to: admm_dm_methods.o /build/reproducible-path/cp2k-2023.1/src/admm_dm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod admm_types.mod qs_environment_types.mod qs_rho_types.mod admm_dm_types.mod task_list_types.mod pw_types.mod cp_control_types.mod qs_collocate_density.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod cp_dbcsr_operations.mod iterate_matrix.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_atom.mod' due to: qs_ks_atom.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_rho_atom_types.mod qs_oce_types.mod basis_set_types.mod cp_control_types.mod qs_nl_hash_table_types.mod qs_kind_types.mod virial_types.mod cp_para_types.mod kpoint_types.mod sap_kind_types.mod cp_array_utils.mod qs_oce_methods.mod virial_methods.mod util.mod message_passing.mod kinds.mod base_hooks.mod ao_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix_dbg.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod qs_energy_types.mod qs_environment_types.mod base_hooks.mod se_fock_matrix_coulomb.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_coulomb.mod' due to: qs_dftb_coulomb.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod sap_kind_types.mod cp_control_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod virial_types.mod qs_dftb_types.mod cp_para_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod virial_methods.mod mathconstants.mod qs_dftb_utils.mod message_passing.mod kinds.mod base_hooks.mod ewald_methods_tb.mod qs_dftb3_methods.mod qmmm_tb_coulomb.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_pw_methods.mod' due to: hfx_pw_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod pw_grid_types.mod input_section_types.mod qs_collocate_density.mod pw_poisson_methods.mod cp_dbcsr_operations.mod mathconstants.mod pw_methods.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix_dbg.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod distribution_1d_types.mod basis_set_types.mod qs_loc_types.mod block_p_types.mod qs_kind_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod cp_array_utils.mod qs_localization_methods.mod cp_dbcsr_operations.mod cp_files.mod memory_utilities.mod mathconstants.mod ai_moments.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_fm_diag.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_utils.F qs_loc_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tensors.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tensors.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod block_p_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod libint_wrapper.mod ai_contraction.mod qs_neighbor_lists.mod cp_files.mod libint_2c_3c.mod gamma.mod input_constants.mod t_c_g0.mod kinds.mod ai_contraction_sphi.mod dbt_api.mod cp_array_utils.mod util.mod hfx_compression_methods.mod orbital_pointers.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tensors.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tensors.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod qs_tensors_types.mod input_section_types.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod ai_contraction.mod gamma.mod cp_files.mod libint_wrapper.mod ai_contraction_sphi.mod util.mod t_c_g0.mod dbt_api.mod libint_2c_3c.mod kinds.mod input_constants.mod orbital_pointers.mod qs_neighbor_lists.mod base_hooks.mod hfx_compression_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tensors.F qs_tensors.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_derivatives.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod hfx_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod admm_types.mod particle_types.mod libint_wrapper.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod machine.mod gamma.mod input_constants.mod hfx_load_balance_methods.mod t_c_g0.mod hfx_pair_list_methods.mod kinds.mod mathconstants.mod util.mod hfx_screening_methods.mod hfx_communication.mod hfx_compression_methods.mod message_passing.mod orbital_pointers.mod base_hooks.mod hfx_libint_interface.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_derivatives.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod cp_control_types.mod hfx_types.mod virial_types.mod admm_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod hfx_libint_interface.mod gamma.mod cp_files.mod mathconstants.mod libint_wrapper.mod hfx_communication.mod hfx_pair_list_methods.mod util.mod t_c_g0.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod hfx_screening_methods.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod machine.mod hfx_compression_methods.mod hfx_load_balance_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_derivatives.F hfx_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tensors.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_derivatives.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_pw_methods.mod' due to: hfx_pw_methods.o /build/reproducible-path/cp2k-2023.1/src/hfx_pw_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod mathconstants.mod qs_collocate_density.mod pw_poisson_methods.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tensors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:54 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_derivatives.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_energy_potential.mod' due to: hfx_energy_potential.o /build/reproducible-path/cp2k-2023.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod hfx_types.mod admm_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod input_section_types.mod hfx_libint_interface.mod gamma.mod bibliography.mod cp_files.mod mathconstants.mod libint_wrapper.mod hfx_communication.mod hfx_contract_block.mod hfx_pair_list_methods.mod util.mod t_c_g0.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod hfx_screening_methods.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod machine.mod hfx_compression_methods.mod hfx_load_balance_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix_dbg.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod semi_empirical_store_int_types.mod qs_environment_types.mod se_fock_matrix_coulomb.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix_dbg.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kpoint_io.mod' due to: kpoint_io.o /build/reproducible-path/cp2k-2023.1/src/kpoint_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_dftb_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod qs_dftb_utils.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod cp_dbcsr_operations.mod kinds.mod message_passing.mod orbital_pointers.mod qs_mo_io.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F:144:56: + + 144 | CALL get_ks_env(ks_env=ks_env, kpoints=kpoints) + | ^ +Warning: 'ks_env' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F:115:66: + + 115 | TYPE(qs_ks_env_type), POINTER :: ks_env + | ^ +note: 'ks_env' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fermi_contact.mod' due to: qs_fermi_contact.o /build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod input_section_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod cp_log_handling.mod kinds.mod ai_fermi_contact.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_block_davidson.mod' due to: qs_scf_block_davidson.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_block_davidson_types.mod cp_fm_types.mod qs_mo_types.mod preconditioner_types.mod cp_fm_struct.mod message_passing.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod preconditioner.mod parallel_gemm_api.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod cp_fm_diag.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_spin_orbit.mod' due to: qs_spin_orbit.o /build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod cp_log_handling.mod kinds.mod ai_spin_orbit.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F:324:13: +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_elec_field.mod' due to: qs_elec_field.o /build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod cell_types.mod block_p_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod cp_dbcsr_output.mod ai_elec_field.mod cp_log_handling.mod kinds.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 integration_grid_types.mod molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod basis_set_types.mod qs_kind_types.mod task_list_types.mod external_potential_types.mod cp_para_types.mod kg_environment_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod input_section_types.mod lri_environment_init.mod bibliography.mod cp_files.mod string_utilities.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod qs_neighbor_lists.mod kg_vertex_coloring_methods.mod base_hooks.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_environment.F kg_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_core_hamiltonian.mod' due to: qs_core_hamiltonian.o /build/reproducible-path/cp2k-2023.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod kg_environment_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod core_ppl.mod qs_oce_methods.mod cp_dbcsr_cp2k_link.mod core_ppnl.mod cp_dbcsr_operations.mod qs_overlap.mod cp_log_handling.mod core_ae.mod kinds.mod input_constants.mod kg_tnadd_mat.mod qs_condnum.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod cp_blacs_env.mod qs_kinetic.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_core_matrix.mod' due to: se_core_matrix.o /build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod semi_empirical_types.mod virial_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod virial_methods.mod cp_dbcsr_operations.mod qs_overlap.mod semi_empirical_utils.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod semi_empirical_int_arrays.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_window.mod' due to: qs_energy_window.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_window.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod pw_types.mod pw_pool_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod pw_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod iterate_matrix.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_blacs_env.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'stm_images.mod' due to: stm_images.o /build/reproducible-path/cp2k-2023.1/src/stm_images.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod pw_types.mod qs_mo_types.mod pw_pool_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod qs_collocate_density.mod cp_array_utils.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_elf_methods.mod' due to: qs_elf_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho_types.mod pw_types.mod qs_collocate_density.mod base_hooks.mod mathconstants.mod kinds.mod pw_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'population_analyses.mod' due to: population_analyses.o /build/reproducible-path/cp2k-2023.1/src/population_analyses.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod qs_kind_types.mod cp_result_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod cp_result_methods.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod cp_dbcsr_output.mod cp_fm_struct.mod particle_methods.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mao_methods.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_optimizer.F mao_optimizer.F90 +/build/reproducible-path/cp2k-2023.1/src/mp2_eri.F:747:13: - 324 | IF (do_ewald) THEN + 747 | IF (jatom /= last_jatom) THEN | ^ -Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F:123:77: +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_eri.F:649:62: - 123 | LOGICAL :: defined, do_ewald, do_gamma_stress, & - | ^ -note: 'do_ewald' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_core_hamiltonian.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod kg_environment_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod particle_types.mod kpoint_types.mod qs_oce_methods.mod kg_tnadd_mat.mod cp_log_handling.mod core_ppl.mod cp_output_handling.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod cp_blacs_env.mod qs_kinetic.mod cp_dbcsr_cp2k_link.mod qs_condnum.mod core_ppnl.mod base_hooks.mod core_ae.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod atomic_kind_types.mod molecule_types.mod kg_environment_types.mod integration_grid_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod distribution_1d_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod bibliography.mod cp_log_handling.mod kg_vertex_coloring_methods.mod qs_neighbor_lists.mod cp_files.mod string_utilities.mod input_constants.mod kinds.mod lri_environment_init.mod qs_grid_atom.mod util.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_environment.F kg_environment.F90 + 649 | kkind, kset, kset_end, kset_start, last_jatom, last_set, mepos, my_eri_method, na, natom, & + | ^ +note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_optimizer.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:496:13: + + 496 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:360:38: + + 360 | jkind, jpgf, jset, last_jatom, M_dim, maxco, maxsgf, na, nb, ncoa, ncob, nda, ndb, nkind, & + | ^ +note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2023.1/src/qs_tensors.F:850:32: 850 | SUBROUTINE alloc_block_3c_old(t3c, nl_3c, basis_i, basis_j, basis_k, qs_env, potential_parameter, op_pos, & | ^ Warning: 'alloc_block_3c_old' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:13 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:13 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_core_hamiltonian.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'stm_images.mod' due to: stm_images.o /build/reproducible-path/cp2k-2023.1/src/stm_images.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod particle_list_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_array_utils.mod qs_collocate_density.mod cp_fm_basic_linalg.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_wfn_mix.mod' due to: qs_scf_wfn_mix.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_wfn_mix.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod particle_types.mod qs_kind_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_mo_io.mod kinds.mod cp_fm_basic_linalg.mod base_hooks.mod qs_mo_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_window.mod' due to: qs_energy_window.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_window.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod particle_list_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mao_methods.mod cp_dbcsr_operations.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_optimizer.F mao_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_optimizer.F90 /build/reproducible-path/cp2k-2023.1/src/qs_loc_utils.F:822:13: 822 | IF (jatom /= last_jatom) THEN @@ -59170,9 +59289,22 @@ 707 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & | ^ note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_dipole.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod qs_loc_types.mod particle_types.mod cp_result_types.mod qs_environment_types.mod cp_control_types.mod mathconstants.mod cp_log_handling.mod moments_utils.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_result_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_dipole.F qs_loc_dipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_dipole.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecular_states.mod' due to: molecular_states.o /build/reproducible-path/cp2k-2023.1/src/molecular_states.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod molecule_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod bibliography.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecular_dipoles.mod' due to: molecular_dipoles.o /build/reproducible-path/cp2k-2023.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod distribution_1d_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod moments_utils.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_dipole.mod' due to: qs_loc_dipole.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod particle_types.mod qs_loc_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod cp_control_types.mod input_section_types.mod cp_result_methods.mod base_hooks.mod cp_log_handling.mod mathconstants.mod kinds.mod physcon.mod moments_utils.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_commutators.mod' due to: qs_commutators.o /build/reproducible-path/cp2k-2023.1/src/qs_commutators.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_neighbor_list_types.mod qs_kind_types.mod cp_control_types.mod base_hooks.mod commutator_rpnl.mod cp_dbcsr_cp2k_link.mod commutator_rkinetic.mod kinds.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_resp.mod' due to: qs_resp.o /build/reproducible-path/cp2k-2023.1/src/qs_resp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod qs_collocate_density.mod pw_poisson_methods.mod bibliography.mod memory_utilities.mod cp_units.mod uff_vdw_radii_table.mod mathconstants.mod pw_methods.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod periodic_table.mod cp_realspace_grid_cube.mod atomic_charges.mod machine.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_env_methods.mod' due to: qs_fb_env_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod qs_mo_types.mod qs_fb_atomic_halo_types.mod qs_scf_types.mod qs_fb_trial_fns_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_fb_env_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod string_utilities.mod cp_units.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod qs_mo_occupation.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod qs_fb_filter_matrix_methods.mod cp_blacs_env.mod cp_fm_diag.mod qs_integral_utils.mod qs_diis.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_dispersion.mod' due to: qs_dftb_dispersion.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod atprop_types.mod qs_kind_types.mod virial_types.mod qs_dftb_types.mod cp_para_types.mod particle_types.mod virial_methods.mod qs_dftb_utils.mod message_passing.mod kinds.mod input_constants.mod base_hooks.mod qs_dispersion_pairpot.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_libint.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod mp2_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod particle_types.mod cell_types.mod cp_fm_types.mod cp_fm_cholesky.mod gamma.mod cp_files.mod libint_wrapper.mod hfx_pair_list_methods.mod t_sh_p_s_c.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod hfx_screening_methods.mod orbital_pointers.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_libint.F mp2_ri_libint.F90 /build/reproducible-path/cp2k-2023.1/src/qs_loc_utils.F:542:25: 542 | IF (ABS(occ_imo - my_occ) > localized_wfn_control%eps_occ) THEN @@ -59183,6 +59315,27 @@ 463 | REAL(KIND=dp) :: my_occ, occ_imo | ^ note: 'my_occ' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_libint.F90 +/build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F:324:13: + + 324 | IF (do_ewald) THEN + | ^ +Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F:123:77: + + 123 | LOGICAL :: defined, do_ewald, do_gamma_stress, & + | ^ +note: 'do_ewald' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:2660:13: + + 2660 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:2548:19: + + 2548 | last_jatom, lda, ldab, ldb, M_dim, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, sgfa, & + | ^ +note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2023.1/src/qs_tensors.F:2724:108: 2724 | regularization_RI*MAX(1.0_dp, 1.0_dp/MINVAL(zeti(:, iset))) @@ -59193,47 +59346,66 @@ 2548 | REAL(KIND=dp) :: dab, regularization_RI | ^ note: 'regularization_ri' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_resp.mod' due to: qs_resp.o /build/reproducible-path/cp2k-2023.1/src/qs_resp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod uff_vdw_radii_table.mod cp_output_handling.mod pw_methods.mod machine.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod atomic_charges.mod mathconstants.mod qs_collocate_density.mod memory_utilities.mod pw_poisson_methods.mod message_passing.mod kahan_sum.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'et_coupling_proj.mod' due to: et_coupling_proj.o /build/reproducible-path/cp2k-2023.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod kpoint_types.mod particle_types.mod cell_types.mod particle_list_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod bibliography.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod physcon.mod qs_mo_occupation.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_blacs_env.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_elf_methods.mod' due to: qs_elf_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_elf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_rho_types.mod qs_ks_types.mod pw_pool_types.mod pw_types.mod qs_environment_types.mod mathconstants.mod qs_collocate_density.mod kinds.mod base_hooks.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kernel_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kernel_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tddfpt2_stda_types.mod xc_derivative_set_types.mod lri_environment_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kernel_types.F qs_kernel_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kernel_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_integrals.mod' due to: xas_tdp_integrals.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod basis_set_types.mod qs_kind_types.mod eri_mme_types.mod cp_para_types.mod qs_o3c_types.mod particle_types.mod cell_types.mod xas_tdp_types.mod distribution_2d_types.mod input_section_types.mod cp_array_utils.mod cp_eri_mme_interface.mod gamma.mod cp_dbcsr_operations.mod cp_files.mod libint_wrapper.mod ai_contraction_sphi.mod mathlib.mod t_c_g0.mod dbt_api.mod generic_os_integrals.mod message_passing.mod libint_2c_3c.mod kinds.mod input_constants.mod eri_mme_integrate.mod orbital_pointers.mod qs_neighbor_lists.mod base_hooks.mod constants_operator.mod particle_methods.mod cp_blacs_env.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'population_analyses.o' due to: /build/reproducible-path/cp2k-2023.1/src/population_analyses.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod cp_result_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod particle_methods.mod machine.mod cp_dbcsr_output.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_result_methods.mod cp_fm_diag.mod cp_blacs_env.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/population_analyses.F population_analyses.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecular_dipoles.o' due to: /build/reproducible-path/cp2k-2023.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod kinds.mod mathconstants.mod message_passing.mod moments_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/molecular_dipoles.F molecular_dipoles.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecular_states.mod' due to: molecular_states.o /build/reproducible-path/cp2k-2023.1/src/molecular_states.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod input_section_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod qs_collocate_density.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_efield_methods.mod' due to: fist_efield_methods.o /build/reproducible-path/cp2k-2023.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod particle_types.mod fist_efield_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod fist_environment_types.mod cp_result_methods.mod base_hooks.mod moments_utils.mod mathconstants.mod kinds.mod physcon.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' population_analyses.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecular_dipoles.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_commutators.mod' due to: qs_commutators.o /build/reproducible-path/cp2k-2023.1/src/qs_commutators.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_kind_types.mod commutator_rpnl.mod cp_dbcsr_operations.mod commutator_rkinetic.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_velocity_gauge.mod' due to: rt_propagation_velocity_gauge.o /build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod external_potential_types.mod virial_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod sap_kind_types.mod input_section_types.mod cp_dbcsr_cp2k_link.mod core_ppnl.mod cp_dbcsr_operations.mod bibliography.mod mathconstants.mod ai_moments.mod kinds.mod orbital_pointers.mod base_hooks.mod qs_operators_ao.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_core_matrix.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod semi_empirical_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F se_core_matrix.F90 -/build/reproducible-path/cp2k-2023.1/src/mp2_eri.F:747:13: - - 747 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_eri.F:649:62: - - 649 | kkind, kset, kset_end, kset_start, last_jatom, last_set, mepos, my_eri_method, na, natom, & - | ^ -note: 'last_jatom' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_core_matrix.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fb_env_methods.mod' due to: qs_fb_env_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_fb_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_fb_env_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_fb_trial_fns_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_fb_atomic_halo_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_diis.mod cp_fm_cholesky.mod qs_integral_utils.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod qs_density_matrices.mod cp_fm_basic_linalg.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod qs_mo_occupation.mod qs_fb_filter_matrix_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optbas_opt_utils.mod' due to: optbas_opt_utils.o /build/reproducible-path/cp2k-2023.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod distribution_1d_types.mod basis_set_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod cp_fm_basic_linalg.mod kinds.mod qs_neighbor_lists.mod qs_condnum.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_optimize_ri_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_para_types.mod atomic_kind_types.mod lri_optimize_ri_basis_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod generic_os_integrals.mod input_constants.mod kinds.mod lri_environment_methods.mod lri_environment_init.mod memory_utilities.mod powell.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_integrals.mod' due to: xas_tdp_integrals.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod qs_o3c_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod xas_tdp_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod libint_wrapper.mod qs_integral_utils.mod particle_methods.mod qs_neighbor_lists.mod cp_files.mod libint_2c_3c.mod generic_os_integrals.mod mathlib.mod cp_dbcsr_operations.mod gamma.mod input_constants.mod constants_operator.mod t_c_g0.mod kinds.mod ai_contraction_sphi.mod cp_eri_mme_interface.mod dbt_api.mod cp_array_utils.mod cp_blacs_env.mod eri_mme_integrate.mod message_passing.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'library_tests.mod' due to: library_tests.o /build/reproducible-path/cp2k-2023.1/src/library_tests.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod input_section_types.mod global_types.mod cp_para_types.mod cell_types.mod pw_grid_types.mod parallel_rng_types.mod cp_fm_types.mod parallel_gemm_api.mod minimax_exp.mod ai_coulomb_test.mod cp_eri_mme_interface.mod cp_realspace_grid_init.mod cp_files.mod pw_methods.mod dbm_tests.mod message_passing.mod cp_fm_basic_linalg.mod mp2_grids.mod cp_log_handling.mod shg_integrals_test.mod kinds.mod input_constants.mod pw_grids.mod cp_output_handling.mod base_hooks.mod cg_test.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod fft_tools.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_types.mod' due to: qmmmx_types.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'et_coupling_proj.mod' due to: et_coupling_proj.o /build/reproducible-path/cp2k-2023.1/src/et_coupling_proj.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod pw_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod orbital_pointers.mod parallel_gemm_api.mod qs_mo_occupation.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dispersion_utils.mod' due to: qs_dispersion_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod qs_dispersion_pairpot.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kernel_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kernel_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod qs_tddfpt2_stda_types.mod lri_environment_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kernel_types.F qs_kernel_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kernel_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_efield_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_environment_types.mod fist_efield_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod cp_result_types.mod mathconstants.mod moments_utils.mod physcon.mod kinds.mod base_hooks.mod cp_result_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_efield_methods.F fist_efield_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_ml_descriptor.mod' due to: pao_ml_descriptor.o /build/reproducible-path/cp2k-2023.1/src/pao_ml_descriptor.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pao_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod base_hooks.mod pao_potentials.mod mathconstants.mod kinds.mod util.mod mathlib.mod pao_input.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param_gth.mod' due to: pao_param_gth.o /build/reproducible-path/cp2k-2023.1/src/pao_param_gth.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pao_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod dm_ls_scf_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod arnoldi_api.mod message_passing.mod pao_param_fock.mod pao_potentials.mod machine.mod kinds.mod orbital_pointers.mod iterate_matrix.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param_exp.mod' due to: pao_param_exp.o /build/reproducible-path/cp2k-2023.1/src/pao_param_exp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pao_types.mod qs_environment_types.mod qs_kind_types.mod base_hooks.mod pao_potentials.mod kinds.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param_linpot.mod' due to: pao_param_linpot.o /build/reproducible-path/cp2k-2023.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod basis_set_types.mod pao_types.mod qs_kind_types.mod cp_para_types.mod particle_types.mod pao_linpot_full.mod pao_potentials.mod pao_linpot_rotinv.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod pao_param_fock.mod machine.mod pao_input.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ri_environment_methods.mod' due to: ri_environment_methods.o /build/reproducible-path/cp2k-2023.1/src/ri_environment_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod pw_types.mod lri_environment_types.mod cp_para_types.mod qs_o3c_types.mod qs_rho_types.mod qs_collocate_density.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod arnoldi_api.mod qs_overlap.mod util.mod message_passing.mod kinds.mod iterate_matrix.mod base_hooks.mod cp_dbcsr_diag.mod cp_blacs_env.mod qs_o3c_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_environment_methods.mod' due to: lri_environment_methods.o /build/reproducible-path/cp2k-2023.1/src/lri_environment_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod core_ppl.mod qs_collocate_density.mod lri_integrals.mod mathlib.mod generic_os_integrals.mod message_passing.mod cp_log_handling.mod lri_compression.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_block_davidson.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod qs_block_davidson_types.mod qs_mo_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod preconditioner.mod cp_fm_cholesky.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod machine.mod cp_fm_diag.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod qs_ot_types.mod base_hooks.mod preconditioner.mod arnoldi_api.mod message_passing.mod cp_dbcsr_diag.mod cp_dbcsr_cholesky.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot.F qs_ot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_block_davidson.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_integrate_potential.mod' due to: qs_integrate_potential.o /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_integrate_potential_single.mod qs_integrate_potential_product.mod base_hooks.mod grid_api.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_ks_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_o3c_types.mod lri_environment_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod ri_environment_methods.mod base_hooks.mod lri_compression.mod qs_o3c_methods.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_ks_methods.F lri_ks_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:39:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc_util.mod' due to: cp_ddapc_util.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_charges_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod cp_ddapc_types.mod qs_rho_types.mod input_section_types.mod cp_ddapc_methods.mod mathconstants.mod pw_methods.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod atomic_charges.mod cp_ddapc_forces.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix_dbg.mod' due to: se_fock_matrix_dbg.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod qs_energy_types.mod qs_environment_types.mod base_hooks.mod se_fock_matrix_coulomb.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_ks_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_image_charge.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod realspace_grid_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod virial_types.mod cp_para_types.mod qmmm_types_low.mod pw_pool_types.mod pw_poisson_types.mod cell_types.mod input_section_types.mod qs_collocate_density.mod pw_poisson_methods.mod cp_eri_mme_interface.mod cp_files.mod memory_utilities.mod mathconstants.mod pw_methods.mod util.mod message_passing.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod eri_mme_integrate.mod cp_output_handling.mod base_hooks.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_image_charge.F qmmm_image_charge.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_utils.mod' due to: qs_loc_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod distribution_1d_types.mod basis_set_types.mod qs_loc_types.mod block_p_types.mod qs_kind_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod cp_array_utils.mod qs_localization_methods.mod cp_dbcsr_operations.mod cp_files.mod memory_utilities.mod mathconstants.mod ai_moments.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_environment.mod' due to: kg_environment.o /build/reproducible-path/cp2k-2023.1/src/kg_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 integration_grid_types.mod molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod basis_set_types.mod qs_kind_types.mod task_list_types.mod external_potential_types.mod cp_para_types.mod kg_environment_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod input_section_types.mod lri_environment_init.mod bibliography.mod cp_files.mod string_utilities.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod qs_neighbor_lists.mod kg_vertex_coloring_methods.mod base_hooks.mod qs_grid_atom.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_image_charge.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_dispersion_types.mod atomic_kind_types.mod qs_environment_types.mod ec_env_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod dm_ls_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod basis_set_container_types.mod input_section_types.mod qs_dispersion_nonloc.mod qs_dispersion_utils.mod bibliography.mod string_utilities.mod qs_interactions.mod xc.mod cp_log_handling.mod kinds.mod input_cp2k_check.mod input_constants.mod orbital_pointers.mod base_hooks.mod cp_para_env.mod xc_input_constants.mod qs_dispersion_pairpot.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_environment.F ec_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mao_optimizer.mod' due to: mao_optimizer.o /build/reproducible-path/cp2k-2023.1/src/mao_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 base_hooks.mod mao_methods.mod kinds.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'lri_optimize_ri_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod basis_set_types.mod lri_optimize_ri_basis_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod lri_environment_init.mod lri_environment_methods.mod memory_utilities.mod powell.mod generic_os_integrals.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 /build/reproducible-path/cp2k-2023.1/src/hfx_derivatives.F:1231:28: 1231 | IF (screen_pmat_forces) THEN @@ -59354,156 +59526,137 @@ 196 | TYPE(hfx_cache_type), POINTER :: maxval_cache | ^ note: 'maxval_cache' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_velocity_gauge.o' due to: /build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod sap_kind_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod bibliography.mod cp_dbcsr_operations.mod kinds.mod ai_moments.mod mathconstants.mod qs_operators_ao.mod orbital_pointers.mod cp_dbcsr_cp2k_link.mod core_ppnl.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F rt_propagation_velocity_gauge.F90 -/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:427:19: - - 427 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) - | ^ -Warning: 'makes' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_efield_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:803:20: - - 803 | SUBROUTINE makedS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, dS) - | ^ -Warning: 'makeds' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_velocity_gauge.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_velocity_gauge.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optbas_opt_utils.mod' due to: optbas_opt_utils.o /build/reproducible-path/cp2k-2023.1/src/optbas_opt_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod qs_neighbor_lists.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod qs_condnum.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'library_tests.mod' due to: library_tests.o /build/reproducible-path/cp2k-2023.1/src/library_tests.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod cp_para_types.mod cp_fm_types.mod input_section_types.mod pw_grid_types.mod cell_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod fft_tools.mod pw_methods.mod cp_files.mod machine.mod cp_fm_struct.mod ai_coulomb_test.mod cp_realspace_grid_init.mod input_constants.mod mp2_grids.mod kinds.mod cp_eri_mme_interface.mod cp_fm_diag.mod minimax_exp.mod pw_grids.mod cg_test.mod shg_integrals_test.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod dbm_tests.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmmx_types.F qmmmx_types.F90 -/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:373:66: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_eri_gpw.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod realspace_grid_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod cp_fm_types.mod qs_collocate_density.mod pw_poisson_methods.mod task_list_methods.mod rs_pw_interface.mod mathconstants.mod pw_methods.mod gaussian_gridlevels.mod pw_env_methods.mod message_passing.mod qs_integrate_potential.mod libint_2c_3c.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_eri_gpw.F mp2_eri_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:885:43: - 373 | force(jkind)%all_potential(:, atom_b) + force_ab(:) - | ^ -Warning: 'atom_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:87:38: + 885 | i_first = inotconv_set(j, 1) + | ^ +Warning: 'inotconv_set.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:488:83: - 87 | INTEGER :: after, atom_a, atom_b, handle, i, iatom, icol, icor, ikind, inode, irow, itype, & - | ^ -note: 'atom_b' was declared here -/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:371:66: + 488 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set + | ^ +note: 'inotconv_set.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:886:42: - 371 | force(ikind)%all_potential(:, atom_a) - force_ab(:) - | ^ -Warning: 'atom_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F:87:30: + 886 | i_last = inotconv_set(j, 2) + | ^ +Warning: 'inotconv_set.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:488:83: - 87 | INTEGER :: after, atom_a, atom_b, handle, i, iatom, icol, icor, ikind, inode, irow, itype, & - | ^ -note: 'atom_a' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_integrate_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_integrate_potential_single.mod grid_api.mod qs_integrate_potential_product.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential.F qs_integrate_potential.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fermi_contact.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod input_section_types.mod particle_types.mod qs_environment_types.mod block_p_types.mod cp_para_types.mod ai_fermi_contact.mod orbital_pointers.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F qs_fermi_contact.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_integrate_potential.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_spin_orbit.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod input_section_types.mod particle_types.mod qs_environment_types.mod block_p_types.mod cp_para_types.mod ai_spin_orbit.mod orbital_pointers.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F qs_spin_orbit.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fermi_contact.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_spin_orbit.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_elec_field.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod input_section_types.mod particle_types.mod qs_environment_types.mod block_p_types.mod cp_para_types.mod orbital_pointers.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod ai_elec_field.mod cp_dbcsr_output.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F qs_elec_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_elec_field.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_moments.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_moments.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_rho_types.mod qs_mo_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod block_p_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod kpoint_types.mod particle_types.mod rt_propagation_types.mod bibliography.mod physcon.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_result_methods.mod ai_moments.mod commutator_rpnl.mod mathconstants.mod qs_operators_ao.mod ai_angmom.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod moments_utils.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_moments.F qs_moments.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dispersion_pairpot.mod' due to: qs_dispersion_pairpot.o /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_pairpot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod virial_types.mod qs_dispersion_types.mod atprop_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod cell_types.mod particle_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod cp_parser_methods.mod input_constants.mod kinds.mod mathconstants.mod memory_utilities.mod message_passing.mod virial_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_operators.mod' due to: atom_operators.o /build/reproducible-path/cp2k-2023.1/src/atom_operators.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod lapack.mod mathlib.mod mathconstants.mod periodic_table.mod input_constants.mod qs_grid_atom.mod dkh_main.mod physcon.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_moments.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot.mod' due to: qs_ot.o /build/reproducible-path/cp2k-2023.1/src/qs_ot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ot_types.mod preconditioner_types.mod message_passing.mod cp_dbcsr_cholesky.mod preconditioner.mod arnoldi_api.mod cp_dbcsr_diag.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F:195:13: + 488 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set + | ^ +note: 'inotconv_set.offset' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_eri_gpw.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:235:13: - 195 | IF (jatom /= last_jatom) THEN + 235 | IF (jatom == last_jatom) THEN | ^ Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F:82:19: +/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:133:97: - 82 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & - | ^ + 133 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^ note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param_exp.mod' due to: pao_param_exp.o /build/reproducible-path/cp2k-2023.1/src/pao_param_exp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod basis_set_types.mod pao_types.mod qs_kind_types.mod mathlib.mod kinds.mod base_hooks.mod pao_potentials.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kernel_types.mod' due to: qs_kernel_types.o /build/reproducible-path/cp2k-2023.1/src/qs_kernel_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tddfpt2_stda_types.mod xc_derivative_set_types.mod lri_environment_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod input_section_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F:195:13: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_types.mod atomic_kind_types.mod shell_potential_types.mod multipole_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_efield_types.mod virial_types.mod molecule_kind_types.mod exclusion_types.mod cp_para_types.mod fist_environment_types.mod cp_subsys_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod fist_energy_types.mod atprop_types.mod ewald_environment_types.mod input_section_types.mod ewalds_multipole.mod fist_nonbond_force.mod pme.mod fist_efield_methods.mod ewald_pw_methods.mod cp_units.mod spme.mod manybody_eam.mod fist_pol_scf.mod fist_neighbor_list_control.mod fist_intra_force.mod message_passing.mod manybody_potential.mod cp_log_handling.mod kinds.mod input_constants.mod ewalds.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_force.F fist_force.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:429:43: - 195 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F:83:19: + 429 | i_first = inotconv_set(j, 1) + | ^ +Warning: 'inotconv_set.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:92:83: - 83 | last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param_linpot.mod' due to: pao_param_linpot.o /build/reproducible-path/cp2k-2023.1/src/pao_param_linpot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod machine.mod mathlib.mod pao_input.mod kinds.mod pao_potentials.mod message_passing.mod pao_param_fock.mod pao_linpot_rotinv.mod base_hooks.mod pao_linpot_full.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod lri_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod qs_rho_atom_types.mod pw_pool_types.mod qs_kind_types.mod admm_types.mod kpoint_types.mod pw_types.mod cp_log_handling.mod pw_methods.mod cp_dbcsr_operations.mod kinds.mod qs_rho_atom_methods.mod lri_environment_methods.mod ri_environment_methods.mod qs_collocate_density.mod cp_dbcsr_cp2k_link.mod base_hooks.mod + 92 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set + | ^ +note: 'inotconv_set.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:430:42: + + 430 | i_last = inotconv_set(j, 2) + | ^ +Warning: 'inotconv_set.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F:92:83: + + 92 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set + | ^ +note: 'inotconv_set.offset' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_force.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:2103:10: + + 2103 | IF (my_com_nl) THEN + | ^ +Warning: 'my_com_nl' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:1777:69: + + 1777 | LOGICAL :: my_com_nl, my_velreprs + | ^ +note: 'my_com_nl' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_energy_types.mod fp_types.mod qmmmx_types.mod nnp_environment_types.mod eip_environment_types.mod global_types.mod metadynamics_types.mod mixed_environment_types.mod cp_para_types.mod pwdft_environment_types.mod fist_environment_types.mod cp_subsys_types.mod qmmm_types.mod cell_types.mod mixed_energy_types.mod embed_types.mod fist_energy_types.mod input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_env_types.F force_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod qs_environment_types.mod dm_ls_scf_types.mod base_hooks.mod message_passing.mod pao_param_gth.mod cp_log_handling.mod pao_param_exp.mod kinds.mod pao_param_linpot.mod pao_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param.F pao_param.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param.F90 +/build/reproducible-path/cp2k-2023.1/src/force_env_types.F:710:45: + + 710 | i_force_eval(1) = main_force_eval + | ^ +Warning: 'main_force_eval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/force_env_types.F:690:88: + + 690 | INTEGER :: iforce_eval, main_force_eval + | ^ +note: 'main_force_eval' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod lri_environment_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod qs_local_rho_types.mod kpoint_types.mod qs_rho_types.mod qs_collocate_density.mod ri_environment_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod lri_environment_methods.mod pw_methods.mod cp_log_handling.mod kinds.mod qs_rho_atom_methods.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho_methods.F qs_rho_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dft_plus_u.mod' due to: dft_plus_u.o /build/reproducible-path/cp2k-2023.1/src/dft_plus_u.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod particle_methods.mod cp_dbcsr_output.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod orbital_symbols.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_ks_methods.mod' due to: lri_ks_methods.o /build/reproducible-path/cp2k-2023.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_o3c_types.mod lri_environment_types.mod qs_neighbor_list_types.mod qs_o3c_methods.mod lri_compression.mod ri_environment_methods.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_operators.mod' due to: atom_operators.o /build/reproducible-path/cp2k-2023.1/src/atom_operators.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod base_hooks.mod atom_utils.mod periodic_table.mod dkh_main.mod ai_onecenter.mod qs_grid_atom.mod mathconstants.mod kinds.mod input_constants.mod physcon.mod mathlib.mod lapack.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc_util.mod' due to: cp_ddapc_util.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod cp_ddapc_types.mod pw_pool_types.mod qs_charges_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod input_constants.mod kinds.mod atomic_charges.mod cp_ddapc_forces.mod cp_ddapc_methods.mod mathconstants.mod message_passing.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_block_davidson.mod' due to: qs_scf_block_davidson.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_block_davidson.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod qs_block_davidson_types.mod qs_mo_types.mod cp_fm_types.mod parallel_gemm_api.mod base_hooks.mod preconditioner.mod cp_fm_cholesky.mod message_passing.mod cp_fm_struct.mod cp_fm_basic_linalg.mod machine.mod cp_fm_diag.mod kinds.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_coulomb.mod' due to: xtb_coulomb.o /build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod xtb_types.mod pw_poisson_types.mod atprop_types.mod sap_kind_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod qmmm_tb_coulomb.mod qs_integral_utils.mod ai_contraction.mod kinds.mod ai_overlap.mod mathconstants.mod message_passing.mod qs_dftb3_methods.mod virial_methods.mod orbital_pointers.mod ewald_methods_tb.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot.mod' due to: qs_ot.o /build/reproducible-path/cp2k-2023.1/src/qs_ot.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod qs_ot_types.mod base_hooks.mod preconditioner.mod arnoldi_api.mod message_passing.mod cp_dbcsr_diag.mod cp_dbcsr_cholesky.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_coulomb.mod' due to: qs_dftb_coulomb.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod pw_poisson_types.mod atprop_types.mod sap_kind_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_dftb_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod qmmm_tb_coulomb.mod qs_dftb_utils.mod kinds.mod mathconstants.mod message_passing.mod qs_dftb3_methods.mod virial_methods.mod ewald_methods_tb.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F:198:13: - - 198 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F:83:19: - - 83 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_utils.mod' due to: qs_loc_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_loc_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod block_p_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_localization_methods.mod cp_output_handling.mod cp_files.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_fm_diag.mod cp_array_utils.mod qs_mo_methods.mod ai_moments.mod mathconstants.mod memory_utilities.mod cp_fm_basic_linalg.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dft_plus_u.mod' due to: dft_plus_u.o /build/reproducible-path/cp2k-2023.1/src/dft_plus_u.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod qs_kind_types.mod virial_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod bibliography.mod mathlib.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod cp_fm_struct.mod particle_methods.mod orbital_symbols.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_energy_potential.mod' due to: hfx_energy_potential.o /build/reproducible-path/cp2k-2023.1/src/hfx_energy_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod admm_types.mod particle_types.mod kpoint_types.mod libint_wrapper.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod machine.mod gamma.mod input_constants.mod hfx_load_balance_methods.mod t_c_g0.mod hfx_pair_list_methods.mod kinds.mod hfx_contract_block.mod mathconstants.mod util.mod hfx_screening_methods.mod hfx_communication.mod hfx_compression_methods.mod message_passing.mod orbital_pointers.mod base_hooks.mod hfx_libint_interface.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho0_ggrid.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod qs_rho0_types.mod qs_rho_atom_types.mod realspace_grid_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod qs_local_rho_types.mod particle_types.mod cell_types.mod qs_harmonics_atom.mod memory_utilities.mod pw_methods.mod gaussian_gridlevels.mod grid_api.mod util.mod message_passing.mod qs_integrate_potential.mod kinds.mod orbital_pointers.mod base_hooks.mod orbital_transformation_matrices.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_moments.mod' due to: qs_moments.o /build/reproducible-path/cp2k-2023.1/src/qs_moments.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod rt_propagation_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod bibliography.mod moments_utils.mod cp_result_methods.mod cp_cfm_basic_linalg.mod mathconstants.mod ai_moments.mod ai_angmom.mod message_passing.mod kinds.mod physcon.mod orbital_pointers.mod base_hooks.mod commutator_rpnl.mod cp_fm_struct.mod particle_methods.mod qs_operators_ao.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix_dbg.mod' due to: se_fock_matrix_dbg.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix_dbg.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod semi_empirical_store_int_types.mod qs_environment_types.mod se_fock_matrix_coulomb.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_coulomb.mod' due to: xtb_coulomb.o /build/reproducible-path/cp2k-2023.1/src/xtb_coulomb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod sap_kind_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod virial_types.mod xtb_types.mod cp_para_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod ai_contraction.mod virial_methods.mod mathconstants.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod ewald_methods_tb.mod ai_overlap.mod qs_dftb3_methods.mod qmmm_tb_coulomb.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dispersion_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod qs_dispersion_types.mod qs_environment_types.mod qs_kind_types.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod qs_dispersion_pairpot.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_core_hamiltonian.mod' due to: qs_core_hamiltonian.o /build/reproducible-path/cp2k-2023.1/src/qs_core_hamiltonian.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod kg_environment_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod particle_types.mod kpoint_types.mod qs_oce_methods.mod kg_tnadd_mat.mod cp_log_handling.mod core_ppl.mod cp_output_handling.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod cp_blacs_env.mod qs_kinetic.mod cp_dbcsr_cp2k_link.mod qs_condnum.mod core_ppnl.mod base_hooks.mod core_ae.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho0_ggrid.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_ks_methods.mod' due to: lri_ks_methods.o /build/reproducible-path/cp2k-2023.1/src/lri_ks_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_o3c_types.mod lri_environment_types.mod atomic_kind_types.mod qs_neighbor_list_types.mod ri_environment_methods.mod base_hooks.mod lri_compression.mod qs_o3c_methods.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_environment.mod' due to: kg_environment.o /build/reproducible-path/cp2k-2023.1/src/kg_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod atomic_kind_types.mod molecule_types.mod kg_environment_types.mod integration_grid_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod distribution_1d_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod bibliography.mod cp_log_handling.mod kg_vertex_coloring_methods.mod qs_neighbor_lists.mod cp_files.mod string_utilities.mod input_constants.mod kinds.mod lri_environment_init.mod qs_grid_atom.mod util.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod pw_pool_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_ddapc_util.mod bibliography.mod pw_methods.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_ddapc_forces.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc.F cp_ddapc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod semi_empirical_store_int_types.mod qs_energy_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod atprop_types.mod input_section_types.mod se_fock_matrix_exchange.mod se_fock_matrix_coulomb.mod cp_log_handling.mod se_fock_matrix_dbg.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix.F se_fock_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_image_charge.mod' due to: qmmm_image_charge.o /build/reproducible-path/cp2k-2023.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod realspace_grid_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod virial_types.mod cp_para_types.mod qmmm_types_low.mod pw_pool_types.mod pw_poisson_types.mod cell_types.mod input_section_types.mod qs_collocate_density.mod pw_poisson_methods.mod cp_eri_mme_interface.mod cp_files.mod memory_utilities.mod mathconstants.mod pw_methods.mod util.mod message_passing.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod eri_mme_integrate.mod cp_output_handling.mod base_hooks.mod ao_util.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dispersion_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_ehess.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_ehess.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod xtb_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kinds.mod mathconstants.mod message_passing.mod ewald_methods_tb.mod xtb_coulomb.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_efield_local.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_efield_local.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_period_efield_types.mod qs_energy_types.mod qs_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod qs_moments.mod ai_moments.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_efield_local.F qs_efield_local.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_efield_local.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_op.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_op.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod parallel_gemm_api.mod qs_fermi_contact.mod qs_spin_orbit.mod cp_array_utils.mod qs_elec_field.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod qs_moments.mod cp_cfm_basic_linalg.mod mathconstants.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod qs_operators_ao.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_op.F qs_linres_op.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_ehess.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_ehess.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod ewald_pw_types.mod qs_kind_types.mod virial_types.mod xtb_types.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod atprop_types.mod ewald_environment_types.mod mathconstants.mod message_passing.mod kinds.mod base_hooks.mod ewald_methods_tb.mod xtb_coulomb.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xtb_ehess.F xtb_ehess.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_ehess_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_ehess_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod xtb_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod kinds.mod mathconstants.mod message_passing.mod ewald_methods_tb.mod xtb_coulomb.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_op.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_ehess.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_ehess_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_ehess_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod cp_control_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod virial_types.mod xtb_types.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod ewald_methods_tb.mod xtb_coulomb.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xtb_ehess_force.F xtb_ehess_force.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mao_optimizer.mod' due to: mao_optimizer.o /build/reproducible-path/cp2k-2023.1/src/mao_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mao_methods.mod cp_dbcsr_operations.mod base_hooks.mod kinds.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_ehess.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_dipole.mod' due to: qs_loc_dipole.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_dipole.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod qs_loc_types.mod particle_types.mod cp_result_types.mod qs_environment_types.mod cp_control_types.mod mathconstants.mod cp_log_handling.mod moments_utils.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_result_methods.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_ehess_force.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'population_analyses.mod' due to: population_analyses.o /build/reproducible-path/cp2k-2023.1/src/population_analyses.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod cp_result_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod particle_methods.mod machine.mod cp_dbcsr_output.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_result_methods.mod cp_fm_diag.mod cp_blacs_env.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecular_dipoles.mod' due to: molecular_dipoles.o /build/reproducible-path/cp2k-2023.1/src/molecular_dipoles.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod kinds.mod mathconstants.mod message_passing.mod moments_utils.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_dispersion.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_dispersion_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_kind_types.mod particle_types.mod qs_dftb_utils.mod input_constants.mod kinds.mod qs_dispersion_pairpot.mod message_passing.mod virial_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_core_matrix.mod' due to: se_core_matrix.o /build/reproducible-path/cp2k-2023.1/src/se_core_matrix.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod semi_empirical_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod virial_methods.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_dispersion.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_kind_types.mod mao_methods.mod qs_neighbor_lists.mod cp_dbcsr_operations.mod qs_overlap.mod mao_optimizer.mod kinds.mod base_hooks.mod particle_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_basis.F mao_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_basis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_libint.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod mp2_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod libint_wrapper.mod cp_fm_cholesky.mod cp_files.mod cp_fm_struct.mod gamma.mod input_constants.mod hfx_pair_list_methods.mod kinds.mod cp_blacs_env.mod hfx_screening_methods.mod cp_fm_basic_linalg.mod message_passing.mod orbital_pointers.mod hfx_energy_potential.mod t_sh_p_s_c.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_libint.F mp2_ri_libint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_libint.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod xc_derivative_types.mod xc_derivative_set_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod xas_tdp_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod particle_types.mod xc_atom.mod xc.mod qs_integral_utils.mod cp_log_handling.mod physcon.mod particle_methods.mod libint_2c_3c.mod mathlib.mod cp_dbcsr_operations.mod qs_overlap.mod xc_derivatives.mod input_constants.mod kinds.mod ai_contraction_sphi.mod dbt_api.mod cp_array_utils.mod qs_grid_atom.mod cp_blacs_env.mod memory_utilities.mod qs_harmonics_atom.mod cp_para_env.mod util.mod atom_operators.mod message_passing.mod cp_dbcsr_cholesky.mod orbital_transformation_matrices.mod xc_derivative_desc.mod lebedev.mod orbital_pointers.mod base_hooks.mod spherical_harmonics.mod xas_tdp_integrals.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F xas_tdp_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:28 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_atom.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ex_property_calculation.o' due to: /build/reproducible-path/cp2k-2023.1/src/ex_property_calculation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod distribution_1d_types.mod cp_control_types.mod qs_kind_types.mod cp_result_types.mod cp_para_types.mod qs_p_env_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod mulliken.mod cp_dbcsr_operations.mod moments_utils.mod cp_result_methods.mod qs_moments.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ex_property_calculation.F ex_property_calculation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_ehess_force.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_efield_local.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod ec_env_types.mod cp_control_types.mod basis_set_types.mod qs_period_efield_types.mod qs_energy_types.mod qs_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod qs_moments.mod ai_moments.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F ec_efield_local.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ex_property_calculation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ex_property_calculation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_efield_local.F90 /build/reproducible-path/cp2k-2023.1/src/xtb_ehess.F:234:13: 234 | IF (do_ewald) THEN @@ -59514,36 +59667,38 @@ 92 | LOGICAL :: defined, do_ewald, found | ^ note: 'do_ewald' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kernel_types.mod' due to: qs_kernel_types.o /build/reproducible-path/cp2k-2023.1/src/qs_kernel_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_set_types.mod input_section_types.mod xc_rho_cflags_types.mod qs_tddfpt2_stda_types.mod lri_environment_types.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_efield_methods.mod' due to: fist_efield_methods.o /build/reproducible-path/cp2k-2023.1/src/fist_efield_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_environment_types.mod fist_efield_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod particle_types.mod cp_result_types.mod mathconstants.mod moments_utils.mod physcon.mod kinds.mod base_hooks.mod cp_result_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_grb.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_grb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_operators.mod lapack.mod cp_files.mod powell.mod orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod periodic_table.mod input_constants.mod qs_grid_atom.mod physcon.mod atom_utils.mod kinds.mod base_hooks.mod atom_electronic_structure.mod ai_onecenter.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_grb.F atom_grb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_grb.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:496:13: - - 496 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:360:38: - - 360 | jkind, jpgf, jset, last_jatom, M_dim, maxco, maxsgf, na, nb, ncoa, ncob, nda, ndb, nkind, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_admm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_operators.mod atom_xc.mod mathlib.mod input_constants.mod atom_output.mod atom_utils.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F atom_admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_admm_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_types.mod' due to: qmmmx_types.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod base_hooks.mod kinds.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_integrate_potential.mod' due to: qs_integrate_potential.o /build/reproducible-path/cp2k-2023.1/src/qs_integrate_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_integrate_potential_single.mod grid_api.mod qs_integrate_potential_product.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod qs_kind_types.mod cp_control_types.mod base_hooks.mod particle_methods.mod qs_overlap.mod mao_methods.mod kinds.mod cp_dbcsr_operations.mod mao_optimizer.mod qs_neighbor_lists.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_basis.F mao_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_basis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecular_moments.o' due to: /build/reproducible-path/cp2k-2023.1/src/molecular_moments.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod distribution_1d_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_dbcsr_operations.mod moments_utils.mod qs_moments.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/molecular_moments.F molecular_moments.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_wfn_analysis.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod mao_optimizer.mod bibliography.mod qs_overlap.mod cp_dbcsr_cholesky.mod mathlib.mod message_passing.mod kinds.mod iterate_matrix.mod qs_neighbor_lists.mod base_hooks.mod particle_methods.mod cp_blacs_env.mod mao_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecular_moments.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_optimize_ri_basis.mod' due to: lri_optimize_ri_basis.o /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod basis_set_types.mod lri_optimize_ri_basis_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod lri_environment_init.mod lri_environment_methods.mod memory_utilities.mod powell.mod generic_os_integrals.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fermi_contact.mod' due to: qs_fermi_contact.o /build/reproducible-path/cp2k-2023.1/src/qs_fermi_contact.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod input_section_types.mod particle_types.mod qs_environment_types.mod block_p_types.mod cp_para_types.mod ai_fermi_contact.mod orbital_pointers.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_dbcsr_output.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_wfn_analysis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_libint.mod' due to: mp2_ri_libint.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod mp2_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod particle_types.mod cell_types.mod cp_fm_types.mod cp_fm_cholesky.mod gamma.mod cp_files.mod libint_wrapper.mod hfx_pair_list_methods.mod t_sh_p_s_c.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod hfx_screening_methods.mod orbital_pointers.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_spin_orbit.mod' due to: qs_spin_orbit.o /build/reproducible-path/cp2k-2023.1/src/qs_spin_orbit.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod input_section_types.mod particle_types.mod qs_environment_types.mod block_p_types.mod cp_para_types.mod ai_spin_orbit.mod orbital_pointers.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_dbcsr_output.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_eri_gpw.mod' due to: mp2_eri_gpw.o /build/reproducible-path/cp2k-2023.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod realspace_grid_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod cp_fm_types.mod qs_collocate_density.mod pw_poisson_methods.mod task_list_methods.mod rs_pw_interface.mod mathconstants.mod pw_methods.mod gaussian_gridlevels.mod pw_env_methods.mod message_passing.mod qs_integrate_potential.mod libint_2c_3c.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod ao_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_elec_field.mod' due to: qs_elec_field.o /build/reproducible-path/cp2k-2023.1/src/qs_elec_field.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod input_section_types.mod particle_types.mod qs_environment_types.mod block_p_types.mod cp_para_types.mod orbital_pointers.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod ai_elec_field.mod cp_dbcsr_output.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dcdr_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_loc_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod cp_files.mod moments_utils.mod memory_utilities.mod cp_result_methods.mod qs_moments.mod string_utilities.mod qs_overlap.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_kinetic.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_utils.F qs_dcdr_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod cp_para_types.mod xc_derivative_set_types.mod particle_types.mod cell_types.mod xas_tdp_types.mod qs_rho_types.mod xc_rho_cflags_types.mod input_section_types.mod spherical_harmonics.mod cp_array_utils.mod lebedev.mod qs_harmonics_atom.mod cp_dbcsr_operations.mod memory_utilities.mod xas_tdp_integrals.mod qs_overlap.mod xc_derivatives.mod cp_dbcsr_cholesky.mod atom_operators.mod mathlib.mod ai_contraction_sphi.mod util.mod dbt_api.mod xc.mod message_passing.mod cp_log_handling.mod libint_2c_3c.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod base_hooks.mod orbital_transformation_matrices.mod particle_methods.mod cp_para_env.mod qs_grid_atom.mod xc_atom.mod cp_blacs_env.mod qs_integral_utils.mod xc_derivative_desc.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F xas_tdp_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dcdr_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_force.mod' due to: fist_force.o /build/reproducible-path/cp2k-2023.1/src/fist_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_types.mod atomic_kind_types.mod shell_potential_types.mod multipole_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_efield_types.mod virial_types.mod molecule_kind_types.mod exclusion_types.mod cp_para_types.mod fist_environment_types.mod cp_subsys_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod fist_energy_types.mod atprop_types.mod ewald_environment_types.mod input_section_types.mod ewalds_multipole.mod fist_nonbond_force.mod pme.mod fist_efield_methods.mod ewald_pw_methods.mod cp_units.mod spme.mod manybody_eam.mod fist_pol_scf.mod fist_neighbor_list_control.mod fist_intra_force.mod message_passing.mod manybody_potential.mod cp_log_handling.mod kinds.mod input_constants.mod ewalds.mod cp_output_handling.mod base_hooks.mod true +/build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F:258:43: + + 258 | ec_env%efield_elec = ener_field + | ^ +Warning: 'ener_field' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F:168:83: + + 168 | REAL(dp) :: charge, dab, ener_field, fdir, tmp + | ^ +note: 'ener_field' was declared here /build/reproducible-path/cp2k-2023.1/src/xtb_ehess_force.F:302:13: 302 | IF (do_ewald) THEN @@ -59554,9 +59709,28 @@ 105 | LOGICAL :: calculate_forces, defined, do_ewald, & | ^ note: 'do_ewald' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_fit.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_fit.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_operators.mod lapack.mod cp_files.mod powell.mod mathconstants.mod periodic_table.mod input_constants.mod atom_output.mod physcon.mod atom_utils.mod kinds.mod base_hooks.mod atom_electronic_structure.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_atom.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_delta_pulse.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod cell_types.mod rt_propagation_types.mod input_section_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod bibliography.mod moments_utils.mod qs_moments.mod cp_cfm_basic_linalg.mod mathconstants.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod commutator_rpnl.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_grb.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_grb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod orbital_transformation_matrices.mod atom_electronic_structure.mod atom_utils.mod periodic_table.mod ai_onecenter.mod physcon.mod lapack.mod mathconstants.mod qs_grid_atom.mod kinds.mod powell.mod input_constants.mod atom_operators.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_grb.F atom_grb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_admm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod atom_xc.mod base_hooks.mod atom_utils.mod kinds.mod input_constants.mod atom_operators.mod mathlib.mod atom_output.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F atom_admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_delta_pulse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_grb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_admm_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_env_types.mod' due to: force_env_types.o /build/reproducible-path/cp2k-2023.1/src/force_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_energy_types.mod fp_types.mod qmmmx_types.mod nnp_environment_types.mod eip_environment_types.mod global_types.mod metadynamics_types.mod mixed_environment_types.mod cp_para_types.mod pwdft_environment_types.mod fist_environment_types.mod cp_subsys_types.mod qmmm_types.mod cell_types.mod mixed_energy_types.mod embed_types.mod fist_energy_types.mod input_section_types.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_para_env.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param.mod' due to: pao_param.o /build/reproducible-path/cp2k-2023.1/src/pao_param.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod qs_environment_types.mod dm_ls_scf_types.mod base_hooks.mod message_passing.mod pao_param_gth.mod cp_log_handling.mod pao_param_exp.mod kinds.mod pao_param_linpot.mod pao_input.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_fit.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_fit.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_electronic_structure.mod atom_utils.mod periodic_table.mod physcon.mod lapack.mod mathconstants.mod kinds.mod powell.mod input_constants.mod atom_operators.mod cp_files.mod atom_output.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_fit.F atom_fit.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_fit.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot_minimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ot_types.mod qs_ot.mod base_hooks.mod preconditioner.mod cp_log_handling.mod kinds.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_fit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot_minimizer.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho0_ggrid.mod' due to: qs_rho0_ggrid.o /build/reproducible-path/cp2k-2023.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod qs_rho0_types.mod qs_rho_atom_types.mod realspace_grid_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod qs_local_rho_types.mod particle_types.mod cell_types.mod qs_harmonics_atom.mod memory_utilities.mod pw_methods.mod gaussian_gridlevels.mod grid_api.mod util.mod message_passing.mod qs_integrate_potential.mod kinds.mod orbital_pointers.mod base_hooks.mod orbital_transformation_matrices.mod +true /build/reproducible-path/cp2k-2023.1/src/atom_grb.F:765:69: 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax) @@ -59597,39 +59771,21 @@ 734 | INTEGER :: i, j, l, lmax, lmin, nval | ^ note: 'lmin' declared here -/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:2660:13: - - 2660 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:2548:19: - - 2548 | last_jatom, lda, ldab, ldb, M_dim, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, sgfa, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot_minimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ot_types.mod mathlib.mod preconditioner.mod cp_log_handling.mod kinds.mod qs_ot.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot_minimizer.F90 -/build/reproducible-path/cp2k-2023.1/src/atom_grb.F:265:54: - - 265 | state%occupation(lhomo, nhomo) = fhomo + dene - | ^ -Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_grb.F:94:72: - - 94 | energy_ex(0:lmat), energy_ref, energy_vb(0:lmat), expzet, fhomo, o, prefac, rconf, rk, & - | ^ -note: 'fhomo' was declared here -/build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F:213:19: - - 213 | IF (rhf) THEN - | ^ -Warning: 'rhf' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F:69:72: - - 69 | LOGICAL :: pp_calc, rhf - | ^ -note: 'rhf' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_efield_berry.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_period_efield_types.mod qs_energy_types.mod block_p_types.mod qs_kind_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod cp_fm_types.mod parallel_gemm_api.mod virial_methods.mod cp_dbcsr_operations.mod qs_moments.mod cp_cfm_basic_linalg.mod mathconstants.mod ai_moments.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod orbital_pointers.mod base_hooks.mod cp_fm_struct.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F qs_efield_berry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_efield_berry.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'efield_tb_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_period_efield_types.mod qs_energy_types.mod qs_kind_types.mod virial_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod sap_kind_types.mod virial_methods.mod mathconstants.mod message_passing.mod kinds.mod base_hooks.mod xtb_coulomb.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/efield_tb_methods.F efield_tb_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' efield_tb_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc.mod' due to: cp_ddapc.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod pw_pool_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_ddapc_util.mod bibliography.mod pw_methods.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_ddapc_forces.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gapw_densities.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_local_rho_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_para_types.mod qs_charges_types.mod cp_control_types.mod qs_rho_atom_methods.mod base_hooks.mod qs_rho0_ggrid.mod message_passing.mod cp_log_handling.mod kinds.mod qs_rho0_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gapw_densities.F qs_gapw_densities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gapw_densities.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix.mod' due to: se_fock_matrix.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod semi_empirical_store_int_types.mod qs_energy_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod atprop_types.mod input_section_types.mod se_fock_matrix_exchange.mod se_fock_matrix_coulomb.mod cp_log_handling.mod se_fock_matrix_dbg.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tensors.mod' due to: qs_tensors.o /build/reproducible-path/cp2k-2023.1/src/qs_tensors.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod block_p_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod qs_tensors_types.mod input_section_types.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod ai_contraction.mod gamma.mod cp_files.mod libint_wrapper.mod ai_contraction_sphi.mod util.mod t_c_g0.mod dbt_api.mod libint_2c_3c.mod kinds.mod input_constants.mod orbital_pointers.mod qs_neighbor_lists.mod base_hooks.mod hfx_compression_methods.mod +true /build/reproducible-path/cp2k-2023.1/src/atom_fit.F:1855:21: 1855 | END FUNCTION rcpro @@ -59640,139 +59796,26 @@ 1838 | FUNCTION rcpro(id, xval) RESULT(yval) | ^ note: 'yval' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_image_charge.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod qmmm_types_low.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod cell_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_files.mod qs_integrate_potential.mod ao_util.mod input_constants.mod kinds.mod cp_eri_mme_interface.mod mathconstants.mod qs_collocate_density.mod eri_mme_integrate.mod memory_utilities.mod pw_poisson_methods.mod util.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_image_charge.F qmmm_image_charge.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_param.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_param.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod pao_types.mod qs_environment_types.mod pao_param_exp.mod message_passing.mod pao_param_linpot.mod cp_log_handling.mod pao_input.mod kinds.mod base_hooks.mod pao_param_gth.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_param.F pao_param.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_image_charge.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_param.F90 -/build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F:144:56: - - 144 | CALL get_ks_env(ks_env=ks_env, kpoints=kpoints) - | ^ -Warning: 'ks_env' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F:115:66: - - 115 | TYPE(qs_ks_env_type), POINTER :: ks_env - | ^ -note: 'ks_env' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_ddapc.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_ddapc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod qs_integrate_potential.mod input_constants.mod kinds.mod cp_ddapc_forces.mod cp_ddapc_util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_ddapc.F cp_ddapc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'efield_tb_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod sap_kind_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_period_efield_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod kinds.mod mathconstants.mod message_passing.mod virial_methods.mod xtb_coulomb.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/efield_tb_methods.F efield_tb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_ddapc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' efield_tb_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tensors.mod' due to: qs_tensors.o /build/reproducible-path/cp2k-2023.1/src/qs_tensors.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod block_p_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod libint_wrapper.mod ai_contraction.mod qs_neighbor_lists.mod cp_files.mod libint_2c_3c.mod gamma.mod input_constants.mod t_c_g0.mod kinds.mod ai_contraction_sphi.mod dbt_api.mod cp_array_utils.mod util.mod hfx_compression_methods.mod orbital_pointers.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_derivatives.mod' due to: hfx_derivatives.o /build/reproducible-path/cp2k-2023.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod hfx_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod input_section_types.mod cell_types.mod admm_types.mod particle_types.mod libint_wrapper.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod machine.mod gamma.mod input_constants.mod hfx_load_balance_methods.mod t_c_g0.mod hfx_pair_list_methods.mod kinds.mod mathconstants.mod util.mod hfx_screening_methods.mod hfx_communication.mod hfx_compression_methods.mod message_passing.mod orbital_pointers.mod base_hooks.mod hfx_libint_interface.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'se_fock_matrix.o' due to: /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod particle_types.mod semi_empirical_store_int_types.mod cp_log_handling.mod cp_output_handling.mod input_constants.mod kinds.mod se_fock_matrix_coulomb.mod se_fock_matrix_dbg.mod se_fock_matrix_exchange.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix.F se_fock_matrix.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dispersion_utils.mod' due to: qs_dispersion_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_dispersion_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod input_section_types.mod qs_dispersion_types.mod qs_environment_types.mod qs_kind_types.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod qs_dispersion_pairpot.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' se_fock_matrix.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_ehess.mod' due to: xtb_ehess.o /build/reproducible-path/cp2k-2023.1/src/xtb_ehess.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod xtb_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kinds.mod mathconstants.mod message_passing.mod ewald_methods_tb.mod xtb_coulomb.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_ehess_force.mod' due to: xtb_ehess_force.o /build/reproducible-path/cp2k-2023.1/src/xtb_ehess_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod xtb_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod kinds.mod mathconstants.mod message_passing.mod ewald_methods_tb.mod xtb_coulomb.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:235:13: - - 235 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:133:97: - - 133 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mao_wfn_analysis.o' due to: /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod mao_methods.mod bibliography.mod mao_optimizer.mod qs_neighbor_lists.mod particle_methods.mod mathlib.mod cp_dbcsr_operations.mod qs_overlap.mod iterate_matrix.mod kinds.mod cp_blacs_env.mod message_passing.mod cp_dbcsr_cholesky.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_dispersion.mod' due to: qs_dftb_dispersion.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_dispersion.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_dispersion_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_dftb_types.mod qs_neighbor_list_types.mod qs_kind_types.mod particle_types.mod qs_dftb_utils.mod input_constants.mod kinds.mod qs_dispersion_pairpot.mod message_passing.mod virial_methods.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mao_wfn_analysis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mao_basis.mod' due to: mao_basis.o /build/reproducible-path/cp2k-2023.1/src/mao_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atomic_kind_types.mod qs_rho_types.mod particle_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_kind_types.mod mao_methods.mod qs_neighbor_lists.mod cp_dbcsr_operations.mod qs_overlap.mod mao_optimizer.mod kinds.mod base_hooks.mod particle_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'lri_optimize_ri_basis.mod' due to: lri_optimize_ri_basis.o /build/reproducible-path/cp2k-2023.1/src/lri_optimize_ri_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_para_types.mod atomic_kind_types.mod lri_optimize_ri_basis_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod generic_os_integrals.mod input_constants.mod kinds.mod lri_environment_methods.mod lri_environment_init.mod memory_utilities.mod powell.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_libint.mod' due to: mp2_ri_libint.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_libint.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod mp2_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod libint_wrapper.mod cp_fm_cholesky.mod cp_files.mod cp_fm_struct.mod gamma.mod input_constants.mod hfx_pair_list_methods.mod kinds.mod cp_blacs_env.mod hfx_screening_methods.mod cp_fm_basic_linalg.mod message_passing.mod orbital_pointers.mod hfx_energy_potential.mod t_sh_p_s_c.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw_im_time_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_tensors_types.mod qs_environment_types.mod mp2_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_integral_utils.mod particle_methods.mod cp_dbcsr_operations.mod kinds.mod dbt_api.mod rpa_communication.mod mathconstants.mod message_passing.mod qs_tensors.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_eri_gpw.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_pool_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod libint_2c_3c.mod qs_integrate_potential.mod ao_util.mod pw_env_methods.mod rs_pw_interface.mod input_constants.mod kinds.mod gaussian_gridlevels.mod task_list_methods.mod mathconstants.mod qs_collocate_density.mod pw_poisson_methods.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_eri_gpw.F mp2_eri_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw_im_time_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_eri_gpw.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_efield_types.mod virial_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod fist_energy_types.mod molecule_types.mod cp_subsys_types.mod shell_potential_types.mod fist_environment_types.mod input_section_types.mod multipole_types.mod ewald_pw_types.mod distribution_1d_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod fist_nonbond_force.mod cp_units.mod manybody_eam.mod spme.mod pme.mod fist_efield_methods.mod input_constants.mod kinds.mod manybody_potential.mod ewald_pw_methods.mod ewalds.mod ewalds_multipole.mod fist_pol_scf.mod message_passing.mod fist_neighbor_list_control.mod base_hooks.mod fist_intra_force.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_force.F fist_force.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:2103:10: - - 2103 | IF (my_com_nl) THEN - | ^ -Warning: 'my_com_nl' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_moments.F:1777:69: - - 1777 | LOGICAL :: my_com_nl, my_velreprs - | ^ -note: 'my_com_nl' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_velocity_gauge.mod' due to: rt_propagation_velocity_gauge.o /build/reproducible-path/cp2k-2023.1/src/rt_propagation_velocity_gauge.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod sap_kind_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod bibliography.mod cp_dbcsr_operations.mod kinds.mod ai_moments.mod mathconstants.mod qs_operators_ao.mod orbital_pointers.mod cp_dbcsr_cp2k_link.mod core_ppnl.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_admm_methods.mod' due to: atom_admm_methods.o /build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_operators.mod atom_xc.mod mathlib.mod input_constants.mod atom_output.mod atom_utils.mod kinds.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_force.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod embed_types.mod fp_types.mod metadynamics_types.mod cp_para_types.mod qmmm_types.mod fist_energy_types.mod mixed_energy_types.mod mixed_environment_types.mod qmmmx_types.mod pwdft_environment_types.mod cp_subsys_types.mod qs_environment_types.mod eip_environment_types.mod fist_environment_types.mod input_section_types.mod nnp_environment_types.mod cell_types.mod cp_log_handling.mod kinds.mod cp_para_env.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_env_types.F force_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_rho0_ggrid.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod qs_rho0_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod qs_integrate_potential.mod kinds.mod gaussian_gridlevels.mod memory_utilities.mod qs_harmonics_atom.mod util.mod grid_api.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:49 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_rho0_ggrid.F90 -/build/reproducible-path/cp2k-2023.1/src/atom_fit.F:182:64: - - 182 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob - | ^ -Warning: 'xtob.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot_minimizer.mod' due to: qs_ot_minimizer.o /build/reproducible-path/cp2k-2023.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ot_types.mod mathlib.mod preconditioner.mod cp_log_handling.mod kinds.mod qs_ot.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_derivatives.mod' due to: hfx_derivatives.o /build/reproducible-path/cp2k-2023.1/src/hfx_derivatives.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod cp_control_types.mod hfx_types.mod virial_types.mod admm_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod hfx_libint_interface.mod gamma.mod cp_files.mod mathconstants.mod libint_wrapper.mod hfx_communication.mod hfx_pair_list_methods.mod util.mod t_c_g0.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod hfx_screening_methods.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod machine.mod hfx_compression_methods.mod hfx_load_balance_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_image_charge.mod' due to: qmmm_image_charge.o /build/reproducible-path/cp2k-2023.1/src/qmmm_image_charge.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod qmmm_types_low.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod cell_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_files.mod qs_integrate_potential.mod ao_util.mod input_constants.mod kinds.mod cp_eri_mme_interface.mod mathconstants.mod qs_collocate_density.mod eri_mme_integrate.mod memory_utilities.mod pw_poisson_methods.mod util.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_efield_local.mod' due to: qs_efield_local.o /build/reproducible-path/cp2k-2023.1/src/qs_efield_local.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_period_efield_types.mod qs_energy_types.mod qs_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod qs_moments.mod ai_moments.mod message_passing.mod kinds.mod orbital_pointers.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_param.mod' due to: pao_param.o /build/reproducible-path/cp2k-2023.1/src/pao_param.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod pao_types.mod qs_environment_types.mod pao_param_exp.mod message_passing.mod pao_param_linpot.mod cp_log_handling.mod pao_input.mod kinds.mod base_hooks.mod pao_param_gth.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_op.mod' due to: qs_linres_op.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_op.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod parallel_gemm_api.mod qs_fermi_contact.mod qs_spin_orbit.mod cp_array_utils.mod qs_elec_field.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod qs_moments.mod cp_cfm_basic_linalg.mod mathconstants.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod qs_operators_ao.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho_methods.mod' due to: qs_rho_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod lri_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod qs_rho_atom_types.mod pw_pool_types.mod qs_kind_types.mod admm_types.mod kpoint_types.mod pw_types.mod cp_log_handling.mod pw_methods.mod cp_dbcsr_operations.mod kinds.mod qs_rho_atom_methods.mod lri_environment_methods.mod ri_environment_methods.mod qs_collocate_density.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_environment.mod' due to: ec_environment.o /build/reproducible-path/cp2k-2023.1/src/ec_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_dispersion_types.mod atomic_kind_types.mod qs_environment_types.mod ec_env_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod dm_ls_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod basis_set_container_types.mod input_section_types.mod qs_dispersion_nonloc.mod qs_dispersion_utils.mod bibliography.mod string_utilities.mod qs_interactions.mod xc.mod cp_log_handling.mod kinds.mod input_cp2k_check.mod input_constants.mod orbital_pointers.mod base_hooks.mod cp_para_env.mod xc_input_constants.mod qs_dispersion_pairpot.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_ddapc.mod' due to: cp_ddapc.o /build/reproducible-path/cp2k-2023.1/src/cp_ddapc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cp_control_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod qs_integrate_potential.mod input_constants.mod kinds.mod cp_ddapc_forces.mod cp_ddapc_util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_adiabatic_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_energy_types.mod input_section_types.mod qs_rho_types.mod hfx_types.mod qs_ks_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_vxc.mod xc_adiabatic_methods.mod hfx_derivatives.mod input_constants.mod kinds.mod base_hooks.mod qs_vxc_atom.mod hfx_communication.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/force_env_types.F:710:45: +/build/reproducible-path/cp2k-2023.1/src/atom_grb.F:265:54: - 710 | i_force_eval(1) = main_force_eval - | ^ -Warning: 'main_force_eval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/force_env_types.F:690:88: + 265 | state%occupation(lhomo, nhomo) = fhomo + dene + | ^ +Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/atom_grb.F:94:72: - 690 | INTEGER :: iforce_eval, main_force_eval - | ^ -note: 'main_force_eval' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_adiabatic_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'se_fock_matrix.mod' due to: se_fock_matrix.o /build/reproducible-path/cp2k-2023.1/src/se_fock_matrix.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod particle_types.mod semi_empirical_store_int_types.mod cp_log_handling.mod cp_output_handling.mod input_constants.mod kinds.mod se_fock_matrix_coulomb.mod se_fock_matrix_dbg.mod se_fock_matrix_exchange.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod qs_charges_types.mod pw_grid_types.mod qs_kind_types.mod qs_cdft_types.mod cell_types.mod admm_types.mod kpoint_types.mod pw_types.mod ps_implicit_types.mod xc.mod cp_log_handling.mod cp_output_handling.mod qs_ks_qmmm_methods.mod pw_methods.mod cp_ddapc.mod lri_ks_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod input_constants.mod kinds.mod lri_environment_methods.mod qs_collocate_density.mod pw_poisson_methods.mod lri_forces.mod message_passing.mod kahan_sum.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F qs_ks_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_wf_history_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_wf_history_types.mod scf_control_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_pool_types.mod pw_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_mo_methods.mod qs_density_matrices.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod qs_matrix_pools.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_rho_types.mod qs_dispersion_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod basis_set_container_types.mod qs_dispersion_utils.mod xc.mod bibliography.mod xc_input_constants.mod cp_log_handling.mod qs_dispersion_nonloc.mod input_cp2k_check.mod string_utilities.mod input_constants.mod kinds.mod cp_para_env.mod qs_dispersion_pairpot.mod orbital_pointers.mod base_hooks.mod qs_interactions.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_environment.F ec_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_wf_history_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_update_s_mstruct.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod task_list_types.mod qs_rho_types.mod qs_ks_types.mod cp_ddapc_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod task_list_methods.mod qs_rho_methods.mod cp_ddapc_util.mod input_constants.mod qs_collocate_density.mod base_hooks.mod pw_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fxc.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fxc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod pw_env_types.mod xc_rho_set_types.mod input_section_types.mod qs_rho_types.mod xc_rho_cflags_types.mod qs_ks_types.mod pw_pool_types.mod pw_types.mod cp_control_types.mod xc.mod qs_rho_methods.mod xc_derivatives.mod kinds.mod base_hooks.mod pw_methods.mod qs_vxc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fxc.F qs_fxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_update_s_mstruct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fxc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fxc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_restart.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_restart.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod xas_env_types.mod input_section_types.mod qs_rho_atom_types.mod qs_kind_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod string_utilities.mod cp_dbcsr_operations.mod qs_mixing_utils.mod kinds.mod qs_rho_methods.mod qs_density_matrices.mod message_passing.mod parallel_gemm_api.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_restart.F xas_restart.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_restart.F90 + 94 | energy_ex(0:lmat), energy_ref, energy_vb(0:lmat), expzet, fhomo, o, prefac, rconf, rk, & + | ^ +note: 'fhomo' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod input_section_types.mod global_types.mod cp_para_types.mod input_keyword_types.mod input_enumeration_types.mod parallel_rng_types.mod cp_fm_types.mod reference_manager.mod gamma.mod bibliography.mod cp_files.mod string_utilities.mod timings_report.mod grid_api.mod voronoi_interface.mod message_passing.mod cp_log_handling.mod local_gemm_api.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod cp_output_handling.mod cp2k_info.mod input_cp2k_global.mod base_hooks.mod orbital_transformation_matrices.mod cp_fm_struct.mod timings.mod machine.mod cp_fm_diag.mod cp_fm_diag_utils.mod cp_error_handling.mod fft_tools.mod header.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/environment.F environment.F90 /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F:106:85: 106 | qmatbc, raq, sab, selnABC, sinv, & @@ -59780,126 +59823,23 @@ Warning: 'selnabc.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F:106:85: Warning: 'selnabc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F:106:85: Warning: 'selnabc.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minbas_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/minbas_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_kind_types.mod particle_types.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod lapack.mod parallel_gemm_api.mod mao_basis.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minbas_methods.F minbas_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minbas_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1331:68: - - 1331 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos - | ^ -Warning: 'dsgf.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1331:68: Warning: 'dsgf.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1331:68: Warning: 'dsgf.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1569:37: - - 1569 | IF (do_gga) dsgf = 0.0_dp - | ^ -Warning: 'dsgf.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1331:68: - - 1331 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos - | ^ -note: 'dsgf.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_direct_method.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod particle_types.mod libint_wrapper.mod mp2_ri_libint.mod cp_log_handling.mod machine.mod input_constants.mod hfx_load_balance_methods.mod hfx_pair_list_methods.mod kinds.mod mathconstants.mod cp_para_env.mod message_passing.mod orbital_pointers.mod hfx_energy_potential.mod t_sh_p_s_c.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F mp2_direct_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_direct_method.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_eri_gpw.mod' due to: mp2_eri_gpw.o /build/reproducible-path/cp2k-2023.1/src/mp2_eri_gpw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_pool_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod libint_2c_3c.mod qs_integrate_potential.mod ao_util.mod pw_env_methods.mod rs_pw_interface.mod input_constants.mod kinds.mod gaussian_gridlevels.mod task_list_methods.mod mathconstants.mod qs_collocate_density.mod pw_poisson_methods.mod message_passing.mod orbital_pointers.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:419:58: - - 419 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr) - | ^ -Warning: 'first_ir' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:401:68: - - 401 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr - | ^ -note: 'first_ir' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod qs_ot_types.mod cp_dbcsr_operations.mod cp_log_handling.mod qs_mo_occupation.mod qs_ot_minimizer.mod kinds.mod qs_ot.mod cp_output_handling.mod base_hooks.mod cp_array_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F qs_ot_scf.F90 -/build/reproducible-path/cp2k-2023.1/src/minbas_methods.F:171:14: - - 171 | ELSEIF (nmo /= nmx) THEN - | ^ -Warning: 'nmx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/minbas_methods.F:87:80: - - 87 | ndep, nmao, nmo, nmx, np, np1, nspin, & - | ^ -note: 'nmx' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot_scf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dcdr_ao.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_ao.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod xc_derivative_set_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_kind_types.mod basis_set_types.mod xc_rho_set_types.mod particle_types.mod pw_types.mod xc.mod qs_integral_utils.mod cp_log_handling.mod core_ppl.mod pw_methods.mod cp_dbcsr_operations.mod qs_integrate_potential.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_collocate_density.mod pw_poisson_methods.mod orbital_pointers.mod parallel_gemm_api.mod core_ppnl.mod base_hooks.mod qs_vxc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_ao.F qs_dcdr_ao.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_force.mod' due to: fist_force.o /build/reproducible-path/cp2k-2023.1/src/fist_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_efield_types.mod virial_types.mod fist_nonbond_env_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod fist_energy_types.mod molecule_types.mod cp_subsys_types.mod shell_potential_types.mod fist_environment_types.mod input_section_types.mod multipole_types.mod ewald_pw_types.mod distribution_1d_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod fist_nonbond_force.mod cp_units.mod manybody_eam.mod spme.mod pme.mod fist_efield_methods.mod input_constants.mod kinds.mod manybody_potential.mod ewald_pw_methods.mod ewalds.mod ewalds_multipole.mod fist_pol_scf.mod message_passing.mod fist_neighbor_list_control.mod base_hooks.mod fist_intra_force.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_ao.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dcdr_ao.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_grb.mod' due to: atom_grb.o /build/reproducible-path/cp2k-2023.1/src/atom_grb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_operators.mod lapack.mod cp_files.mod powell.mod orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod periodic_table.mod input_constants.mod qs_grid_atom.mod physcon.mod atom_utils.mod kinds.mod base_hooks.mod atom_electronic_structure.mod ai_onecenter.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_env_types.mod' due to: force_env_types.o /build/reproducible-path/cp2k-2023.1/src/force_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod embed_types.mod fp_types.mod metadynamics_types.mod cp_para_types.mod qmmm_types.mod fist_energy_types.mod mixed_energy_types.mod mixed_environment_types.mod qmmmx_types.mod pwdft_environment_types.mod cp_subsys_types.mod qs_environment_types.mod eip_environment_types.mod fist_environment_types.mod input_section_types.mod nnp_environment_types.mod cell_types.mod cp_log_handling.mod kinds.mod cp_para_env.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho0_ggrid.mod' due to: qs_rho0_ggrid.o /build/reproducible-path/cp2k-2023.1/src/qs_rho0_ggrid.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod qs_rho0_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod qs_integrate_potential.mod kinds.mod gaussian_gridlevels.mod memory_utilities.mod qs_harmonics_atom.mod util.mod grid_api.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_moments.mod' due to: qs_moments.o /build/reproducible-path/cp2k-2023.1/src/qs_moments.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_rho_types.mod qs_mo_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod block_p_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod kpoint_types.mod particle_types.mod rt_propagation_types.mod bibliography.mod physcon.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_result_methods.mod ai_moments.mod commutator_rpnl.mod mathconstants.mod qs_operators_ao.mod ai_angmom.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod moments_utils.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_fit.mod' due to: atom_fit.o /build/reproducible-path/cp2k-2023.1/src/atom_fit.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_operators.mod lapack.mod cp_files.mod powell.mod mathconstants.mod periodic_table.mod input_constants.mod atom_output.mod physcon.mod atom_utils.mod kinds.mod base_hooks.mod atom_electronic_structure.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot_eigensolver.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_ot_types.mod preconditioner_types.mod cp_dbcsr_operations.mod cp_dbcsr_cholesky.mod qs_ot_minimizer.mod cp_log_handling.mod kinds.mod qs_ot.mod base_hooks.mod qs_mo_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod pao_input.mod kinds.mod message_passing.mod pao_param.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_io.F pao_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_efield_berry.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_energy_types.mod virial_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_period_efield_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod ai_moments.mod mathconstants.mod qs_moments.mod cp_fm_basic_linalg.mod message_passing.mod virial_methods.mod orbital_pointers.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F qs_efield_berry.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_efield_local.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_efield_local.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_period_efield_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kinds.mod ai_moments.mod qs_moments.mod message_passing.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_efield_local.F qs_efield_local.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_efield_berry.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:1335:74: - - 1335 | cdft_control%strength(igroup) - | ^ -Warning: 'sign' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:1219:70: - - 1219 | REAL(dp) :: dvol, sign - | ^ -note: 'sign' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_efield_local.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F:324:47: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod force_env_types.mod particle_types.mod qs_energy_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod input_section_types.mod fist_environment_types.mod base_hooks.mod particle_methods.mod cp_log_handling.mod mathconstants.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_util.F qmmm_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_util.F90 +/build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F:213:19: - 324 | DO ispin = 1, SIZE(expectation_values) - | ^ -Warning: 'expectation_values.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F:140:78: + 213 | IF (rhf) THEN + | ^ +Warning: 'rhf' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F:69:72: - 140 | TYPE(cp_1d_r_p_type), ALLOCATABLE, DIMENSION(:) :: expectation_values, occupation_numbers, & - | ^ -note: 'expectation_values.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gapw_densities.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho0_types.mod qs_local_rho_types.mod qs_kind_types.mod atomic_kind_types.mod qs_charges_types.mod qs_rho_atom_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod qs_rho0_methods.mod message_passing.mod qs_rho0_ggrid.mod cp_log_handling.mod kinds.mod qs_rho_atom_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gapw_densities.F qs_gapw_densities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:58 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gapw_densities.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_correction.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_correction.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod kg_environment_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod pw_types.mod cp_log_handling.mod pw_methods.mod ec_methods.mod lri_ks_methods.mod qs_integrate_potential.mod input_constants.mod kinds.mod qs_rho_methods.mod lri_environment_methods.mod lri_forces.mod message_passing.mod base_hooks.mod qs_vxc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_correction.F kg_correction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:37:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_correction.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'efield_tb_methods.mod' due to: efield_tb_methods.o /build/reproducible-path/cp2k-2023.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod sap_kind_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_period_efield_types.mod qs_kind_types.mod cell_types.mod particle_types.mod kpoint_types.mod kinds.mod mathconstants.mod message_passing.mod virial_methods.mod xtb_coulomb.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_adiabatic_utils.mod' due to: xc_adiabatic_utils.o /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_energy_types.mod input_section_types.mod qs_rho_types.mod hfx_types.mod qs_ks_types.mod pw_types.mod cp_control_types.mod cp_para_types.mod qs_vxc.mod xc_adiabatic_methods.mod hfx_derivatives.mod input_constants.mod kinds.mod base_hooks.mod qs_vxc_atom.mod hfx_communication.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_wf_history_methods.mod' due to: qs_wf_history_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_wf_history_types.mod scf_control_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_pool_types.mod pw_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_mo_methods.mod qs_density_matrices.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod qs_matrix_pools.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_update_s_mstruct.mod' due to: qs_update_s_mstruct.o /build/reproducible-path/cp2k-2023.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod task_list_types.mod qs_rho_types.mod qs_ks_types.mod cp_ddapc_types.mod pw_types.mod qs_environment_types.mod cp_control_types.mod task_list_methods.mod qs_rho_methods.mod cp_ddapc_util.mod input_constants.mod qs_collocate_density.mod base_hooks.mod pw_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'external_potential_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/external_potential_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod cp_subsys_types.mod particle_list_types.mod string_utilities.mod cp_log_handling.mod force_fields_util.mod kinds.mod memory_utilities.mod base_hooks.mod fparser.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/external_potential_methods.F external_potential_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fxc.mod' due to: qs_fxc.o /build/reproducible-path/cp2k-2023.1/src/qs_fxc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_set_types.mod pw_env_types.mod xc_rho_set_types.mod input_section_types.mod qs_rho_types.mod xc_rho_cflags_types.mod qs_ks_types.mod pw_pool_types.mod pw_types.mod cp_control_types.mod xc.mod qs_rho_methods.mod xc_derivatives.mod kinds.mod base_hooks.mod pw_methods.mod qs_vxc.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' external_potential_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_efield_local.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_period_efield_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod input_constants.mod kinds.mod ai_moments.mod qs_moments.mod orbital_pointers.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F ec_efield_local.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_efield_local.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'molecular_moments.o' due to: /build/reproducible-path/cp2k-2023.1/src/molecular_moments.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod message_passing.mod orbital_pointers.mod moments_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/molecular_moments.F molecular_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' molecular_moments.F90 + 69 | LOGICAL :: pp_calc, rhf + | ^ +note: 'rhf' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'grrm_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/grrm_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod particle_types.mod qs_energy_types.mod qs_environment_types.mod cp_control_types.mod base_hooks.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/grrm_utils.F grrm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' grrm_utils.F90 /build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:657:56: 657 | DEALLOCATE (cosab, sinab, work, dcosab, dsinab) @@ -59910,108 +59850,30 @@ 206 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work | ^ note: 'work.data' was declared here -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:1025:87: - - 1025 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) - | ^ -Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:424:95: - - 424 | sphi_b_u3, sphi_c_u1, sphi_c_u2, sphi_c_u3, sphi_d_u1, sphi_d_u2, sphi_d_u3, Ssize_rec, & - | ^ -note: 'ssize_rec' was declared here -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:423:21: - - 423 | S_offset_rec, same_size_kl_index, sphi_a_u1, sphi_a_u2, sphi_a_u3, sphi_b_u1, sphi_b_u2, & - | ^ -Warning: 's_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:422:86: - - 422 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & - | ^ -Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:1021:63: - - 1021 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec) - | ^ -Warning: 'r_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:422:75: - - 422 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & - | ^ -note: 'r_offset_rec' was declared here -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:847:96: - - 847 | task_counter_RS(global_counter, 4) = task_counter_RS(global_counter, 4) + 1 - | ^ -Warning: 'global_counter' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:414:97: - - 414 | INTEGER :: case_index, counter_proc, elements_ij_proc_rec, elements_kl_proc, global_counter, & - | ^ -note: 'global_counter' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_embedding_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 embed_types.mod qs_rho_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod particle_types.mod pw_types.mod xc.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_files.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_fm_diag.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod qs_integrate_potential_single.mod message_passing.mod parallel_gemm_api.mod qs_kinetic.mod base_hooks.mod mixed_environment_utils.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_restart.mod' due to: xas_restart.o /build/reproducible-path/cp2k-2023.1/src/xas_restart.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod xas_env_types.mod input_section_types.mod qs_rho_atom_types.mod qs_kind_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod string_utilities.mod cp_dbcsr_operations.mod qs_mixing_utils.mod kinds.mod qs_rho_methods.mod qs_density_matrices.mod message_passing.mod parallel_gemm_api.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_ehess.mod' due to: xtb_ehess.o /build/reproducible-path/cp2k-2023.1/src/xtb_ehess.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod ewald_pw_types.mod qs_kind_types.mod virial_types.mod xtb_types.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod atprop_types.mod ewald_environment_types.mod mathconstants.mod message_passing.mod kinds.mod base_hooks.mod ewald_methods_tb.mod xtb_coulomb.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minbas_methods.mod' due to: minbas_methods.o /build/reproducible-path/cp2k-2023.1/src/minbas_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_kind_types.mod particle_types.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod lapack.mod parallel_gemm_api.mod mao_basis.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_ehess_force.mod' due to: xtb_ehess_force.o /build/reproducible-path/cp2k-2023.1/src/xtb_ehess_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod distribution_1d_types.mod cp_control_types.mod qs_energy_types.mod ewald_pw_types.mod qs_kind_types.mod virial_types.mod xtb_types.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod ewald_methods_tb.mod xtb_coulomb.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_embedding_potential.F90 -/build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F:258:43: - - 258 | ec_env%efield_elec = ener_field - | ^ -Warning: 'ener_field' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F:168:83: - - 168 | REAL(dp) :: charge, dab, ener_field, fdir, tmp - | ^ -note: 'ener_field' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ex_property_calculation.o' due to: /build/reproducible-path/cp2k-2023.1/src/ex_property_calculation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_p_env_types.mod qs_environment_types.mod input_section_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_dbcsr_operations.mod kinds.mod cp_result_methods.mod qs_moments.mod message_passing.mod moments_utils.mod mulliken.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ex_property_calculation.F ex_property_calculation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ex_property_calculation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ex_property_calculation.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:796:57: - - 796 | energy%hartree = energy%hartree + full_scaling*ener - | ^ -Warning: 'full_scaling' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:716:78: - - 716 | REAL(kind=dp) :: ener, full_scaling, scaling - | ^ -note: 'full_scaling' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:792:56: - - 792 | full_scaling = -dft_control%sic_scaling_a*nelec - | ^ -Warning: 'nelec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:715:68: - - 715 | INTEGER :: i, nelec, nelec_a, nelec_b, nforce - | ^ -note: 'nelec' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw_im_time_util.mod' due to: rpa_gw_im_time_util.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_tensors_types.mod qs_environment_types.mod mp2_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_integral_utils.mod particle_methods.mod cp_dbcsr_operations.mod kinds.mod dbt_api.mod rpa_communication.mod mathconstants.mod message_passing.mod qs_tensors.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ex_property_calculation.mod' due to: ex_property_calculation.o /build/reproducible-path/cp2k-2023.1/src/ex_property_calculation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod distribution_1d_types.mod cp_control_types.mod qs_kind_types.mod cp_result_types.mod cp_para_types.mod qs_p_env_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod mulliken.mod cp_dbcsr_operations.mod moments_utils.mod cp_result_methods.mod qs_moments.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_gpw_method.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_pool_types.mod group_dist_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod pw_methods.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod kinds.mod mp2_eri_gpw.mod cp_blacs_env.mod qs_collocate_density.mod cp_para_env.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_gpw_method.F mp2_gpw_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_gpw_method.F90 -/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1143:63: - - 1143 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso - | ^ -Warning: 'dso.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot_scf.mod' due to: qs_ot_scf.o /build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod qs_ot_types.mod cp_dbcsr_operations.mod cp_log_handling.mod qs_mo_occupation.mod qs_ot_minimizer.mod kinds.mod qs_ot.mod cp_output_handling.mod base_hooks.mod cp_array_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_efield_local.mod' due to: ec_efield_local.o /build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod ec_env_types.mod cp_control_types.mod basis_set_types.mod qs_period_efield_types.mod qs_energy_types.mod qs_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod qs_moments.mod ai_moments.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_subgroups.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod hartree_local_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod admm_types.mod particle_types.mod distribution_2d_types.mod hartree_local_methods.mod qs_neighbor_lists.mod cp_fm_struct.mod distribution_methods.mod cp_dbcsr_operations.mod pw_env_methods.mod qs_rho0_ggrid.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_rho0_methods.mod task_list_methods.mod cp_blacs_env.mod cp_para_env.mod message_passing.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dcdr_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod cp_result_methods.mod qs_moments.mod memory_utilities.mod message_passing.mod parallel_gemm_api.mod moments_utils.mod qs_kinetic.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_utils.F qs_dcdr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_subgroups.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dcdr_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dcdr_ao.mod' due to: qs_dcdr_ao.o /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_ao.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod qs_force_types.mod atomic_kind_types.mod xc_derivative_set_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_kind_types.mod basis_set_types.mod xc_rho_set_types.mod particle_types.mod pw_types.mod xc.mod qs_integral_utils.mod cp_log_handling.mod core_ppl.mod pw_methods.mod cp_dbcsr_operations.mod qs_integrate_potential.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_collocate_density.mod pw_poisson_methods.mod orbital_pointers.mod parallel_gemm_api.mod core_ppnl.mod base_hooks.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mao_basis.mod' due to: mao_basis.o /build/reproducible-path/cp2k-2023.1/src/mao_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod particle_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_types.mod qs_kind_types.mod cp_control_types.mod base_hooks.mod particle_methods.mod qs_overlap.mod mao_methods.mod kinds.mod cp_dbcsr_operations.mod mao_optimizer.mod qs_neighbor_lists.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_types.mod fist_environment_types.mod qs_energy_types.mod cell_types.mod input_section_types.mod particle_types.mod force_env_types.mod cp_subsys_types.mod qs_environment_types.mod qs_kind_types.mod mathconstants.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod particle_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_util.F qmmm_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecular_moments.mod' due to: molecular_moments.o /build/reproducible-path/cp2k-2023.1/src/molecular_moments.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod distribution_1d_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_dbcsr_operations.mod moments_utils.mod qs_moments.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_embedding_potential.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod lri_environment_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod embed_types.mod xc_rho_cflags_types.mod input_section_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod mixed_environment_utils.mod cp_dbcsr_operations.mod cp_files.mod mathconstants.mod pw_methods.mod xc.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod qs_integrate_potential_single.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_blacs_env.mod cp_fm_diag.mod qs_kinetic.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_direct_method.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod mp2_types.mod hfx_types.mod cp_para_types.mod particle_types.mod cell_types.mod mp2_ri_libint.mod mathconstants.mod libint_wrapper.mod hfx_pair_list_methods.mod t_sh_p_s_c.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod hfx_energy_potential.mod cp_para_env.mod machine.mod hfx_load_balance_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F mp2_direct_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_embedding_potential.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw_im_time_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod mp2_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_tensors_types.mod cp_fm_types.mod cp_dbcsr_operations.mod rpa_communication.mod mathconstants.mod qs_tensors.mod dbt_api.mod message_passing.mod kinds.mod base_hooks.mod particle_methods.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_direct_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw_im_time_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_gpw_method.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod group_dist_types.mod cell_types.mod cp_fm_types.mod qs_collocate_density.mod cp_dbcsr_operations.mod mp2_eri_gpw.mod pw_methods.mod message_passing.mod qs_integrate_potential.mod kinds.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod machine.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_gpw_method.F mp2_gpw_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_gpw_method.F90 /build/reproducible-path/cp2k-2023.1/src/mp2_eri.F:579:93: 579 | sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) @@ -60179,10 +60041,6 @@ 410 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hadb_contr, hadb_uncontr, hdab_contr, & | ^ note: 'hadb_uncontr.offset' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'scine_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/scine_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cell_types.mod particle_types.mod force_env_types.mod qs_environment_types.mod cp_control_types.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/scine_utils.F scine_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' scine_utils.F90 /build/reproducible-path/cp2k-2023.1/src/optimize_embedding_potential.F:1943:32: 1943 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) @@ -60193,8 +60051,53 @@ 2050 | SUBROUTINE Hessian_update(grad, prev_grad, step, prev_Hess, Hess) | ^ Warning: 'hessian_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_cdft_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_cdft_types.mod hirshfeld_types.mod global_types.mod cp_control_types.mod atomic_kind_types.mod mixed_environment_types.mod pw_env_types.mod cp_fm_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod qs_cdft_types.mod cell_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod cube_utils.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_realspace_grid_init.mod pw_env_methods.mod input_constants.mod kinds.mod gaussian_gridlevels.mod cp_array_utils.mod pw_grids.mod cp_blacs_env.mod d3_poly.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_epr_ownutils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_linres_types.mod qs_rho_atom_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod qs_harmonics_atom.mod qs_core_energies.mod qs_linres_nmr_epr_common_utils.mod pw_methods.mod mathlib.mod util.mod pw_spline_utils.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod qs_linres_op.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 +/build/reproducible-path/cp2k-2023.1/src/atom_fit.F:182:64: + + 182 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob + | ^ +Warning: 'xtob.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dcdr_utils.mod' due to: qs_dcdr_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_loc_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod cp_files.mod moments_utils.mod memory_utilities.mod cp_result_methods.mod qs_moments.mod string_utilities.mod qs_overlap.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_kinetic.mod +true +/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:1162:56: + + 1162 | DEALLOCATE (cosab, sinab, work, dcosab, dsinab) + | ^ +Warning: 'work.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:695:94: + + 695 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work + | ^ +note: 'work.data' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:1058:95: + + 1058 | force_tmp(iatom, :, i) = force_tmp(iatom, :, i) - fab*hmat(i, idir)*forcea(:) + | ^ +Warning: 'force_tmp.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:696:85: + + 696 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp + | ^ +note: 'force_tmp.dim[2].stride' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:696:85: Warning: 'force_tmp.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:696:85: Warning: 'force_tmp.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:1058:95: + + 1058 | force_tmp(iatom, :, i) = force_tmp(iatom, :, i) - fab*hmat(i, idir)*forcea(:) + | ^ +Warning: 'force_tmp.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:696:85: + + 696 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp + | ^ +note: 'force_tmp.data' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_epr_ownutils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_nmr_shift.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_linres_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod qs_harmonics_atom.mod qs_linres_nmr_epr_common_utils.mod mathconstants.mod pw_methods.mod mathlib.mod util.mod pw_spline_utils.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod qs_linres_op.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:18 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_shift.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_subgroups.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod hartree_local_types.mod qs_kind_types.mod task_list_types.mod input_section_types.mod molecule_kind_types.mod admm_types.mod cp_para_types.mod qs_local_rho_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod cp_fm_types.mod qs_rho0_ggrid.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod task_list_methods.mod distribution_methods.mod pw_env_methods.mod message_passing.mod hartree_local_methods.mod kinds.mod qs_rho0_methods.mod input_constants.mod qs_neighbor_lists.mod qs_rho_atom_methods.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 /build/reproducible-path/cp2k-2023.1/src/mp2_gpw_method.F:162:65: 162 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send @@ -60243,93 +60146,144 @@ 143 | handle2, handle3, i, i_counter, i_group_counter, index_proc_shift, j, max_b_size, & | ^ note: 'i_group_counter' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_cdft_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_vsite.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_vsite.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod molecule_kind_list_types.mod molecule_types.mod particle_types.mod force_env_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:18 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_subgroups.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_vsite.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_vsite.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_vsite.F constraint_vsite.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_vsite.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:1162:56: - - 1162 | DEALLOCATE (cosab, sinab, work, dcosab, dsinab) - | ^ -Warning: 'work.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:695:94: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_vsite.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'external_potential_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/external_potential_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod force_fields_util.mod kinds.mod fparser.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/external_potential_methods.F external_potential_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' external_potential_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'scine_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/scine_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod particle_types.mod qs_energy_types.mod cell_types.mod qs_environment_types.mod cp_control_types.mod base_hooks.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/scine_utils.F scine_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:1025:87: - 695 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work - | ^ -note: 'work.data' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:1058:95: + 1025 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) + | ^ +Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:424:95: - 1058 | force_tmp(iatom, :, i) = force_tmp(iatom, :, i) - fab*hmat(i, idir)*forcea(:) + 424 | sphi_b_u3, sphi_c_u1, sphi_c_u2, sphi_c_u3, sphi_d_u1, sphi_d_u2, sphi_d_u3, Ssize_rec, & | ^ -Warning: 'force_tmp.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:696:85: +note: 'ssize_rec' was declared here +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:423:21: - 696 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp - | ^ -note: 'force_tmp.dim[2].stride' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:696:85: Warning: 'force_tmp.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:696:85: Warning: 'force_tmp.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:1058:95: + 423 | S_offset_rec, same_size_kl_index, sphi_a_u1, sphi_a_u2, sphi_a_u3, sphi_b_u1, sphi_b_u2, & + | ^ +Warning: 's_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:422:86: - 1058 | force_tmp(iatom, :, i) = force_tmp(iatom, :, i) - fab*hmat(i, idir)*forcea(:) - | ^ -Warning: 'force_tmp.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F:696:85: + 422 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & + | ^ +Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:1021:63: - 696 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp - | ^ -note: 'force_tmp.data' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'grrm_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/grrm_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod particle_types.mod force_env_types.mod qs_environment_types.mod cp_control_types.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/grrm_utils.F grrm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' grrm_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'metadynamics_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod cp_para_types.mod input_enumeration_types.mod input_keyword_types.mod input_section_types.mod metadynamics_types.mod force_env_types.mod input_cp2k_free_energy.mod message_passing.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_files.mod machine.mod + 1021 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec) + | ^ +Warning: 'r_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:422:75: + + 422 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & + | ^ +note: 'r_offset_rec' was declared here +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:847:96: + + 847 | task_counter_RS(global_counter, 4) = task_counter_RS(global_counter, 4) + 1 + | ^ +Warning: 'global_counter' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:414:97: + + 414 | INTEGER :: case_index, counter_proc, elements_ij_proc_rec, elements_kl_proc, global_counter, & + | ^ +note: 'global_counter' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' scine_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_cdft_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod input_section_types.mod qs_cdft_types.mod global_types.mod mixed_environment_types.mod cp_subsys_types.mod pw_pool_types.mod mixed_cdft_types.mod cell_types.mod pw_grid_types.mod cp_fm_types.mod cp_array_utils.mod cube_utils.mod cp_realspace_grid_init.mod cp_dbcsr_operations.mod cp_files.mod d3_poly.mod gaussian_gridlevels.mod pw_env_methods.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod pw_grids.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'metadynamics_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod input_keyword_types.mod input_enumeration_types.mod cp_para_types.mod metadynamics_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod physcon.mod machine.mod input_cp2k_free_energy.mod kinds.mod input_constants.mod cp_files.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadynamics_utils.F metadynamics_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:08 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' metadynamics_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' metadynamics_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_restart_force_eval.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod qs_environment_types.mod multipole_types.mod distribution_1d_types.mod cp_control_types.mod atomic_kind_list_types.mod nnp_environment_types.mod virial_types.mod molecule_kind_types.mod eip_environment_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_val_types.mod parallel_rng_types.mod input_section_types.mod cp_linked_list_input.mod cp_files.mod string_utilities.mod cp_units.mod qmmm_ff_fist.mod input_cp2k_restarts_util.mod message_passing.mod kinds.mod input_constants.mod input_restart_rng.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_restart_force_eval.F input_restart_force_eval.F90 +/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1331:68: + + 1331 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos + | ^ +Warning: 'dsgf.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1331:68: Warning: 'dsgf.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1331:68: Warning: 'dsgf.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1569:37: + + 1569 | IF (do_gga) dsgf = 0.0_dp + | ^ +Warning: 'dsgf.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1331:68: + + 1331 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos + | ^ +note: 'dsgf.dim[0].ubound' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_restart_force_eval.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_opt_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod cell_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod cp_units.mod cp_log_handling.mod kinds.mod input_constants.mod cell_opt_utils.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_types.F cell_opt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_opt_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermal_region_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod thermal_region_types.mod simpar_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod string_utilities.mod memory_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod bibliography.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_utils.F thermal_region_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermal_region_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_types.F neb_types.F90 /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F:984:69: 984 | mixed_cdft%sub_logger(i)%p%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_opt_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cp_units.mod cell_opt_utils.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_types.F cell_opt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_opt_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod input_constants.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_types.F neb_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_restart_force_eval.o' due to: /build/reproducible-path/cp2k-2023.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod virial_types.mod parallel_rng_types.mod cp_para_types.mod cp_control_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod qs_environment_types.mod eip_environment_types.mod input_section_types.mod multipole_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod nnp_environment_types.mod cell_types.mod input_val_types.mod atomic_kind_list_types.mod cp_linked_list_input.mod input_restart_rng.mod input_cp2k_restarts_util.mod cp_files.mod string_utilities.mod cp_units.mod input_constants.mod kinds.mod message_passing.mod qmmm_ff_fist.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/input_restart_force_eval.F input_restart_force_eval.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_types.F90 -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:163:53: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_delta_pulse.mod' due to: rt_delta_pulse.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod cell_types.mod rt_propagation_types.mod input_section_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod bibliography.mod moments_utils.mod qs_moments.mod cp_cfm_basic_linalg.mod mathconstants.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod commutator_rpnl.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:419:58: - 163 | number_i_subset = number_groups/number_j_subset - | ^ -Warning: 'number_j_subset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:106:41: + 419 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr) + | ^ +Warning: 'first_ir' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:401:68: - 106 | number_i_subset, number_j_subset, one, sqrt_number_groups, total_I_size_batch_group, & - | ^ -note: 'number_j_subset' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermal_region_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod thermal_region_types.mod input_section_types.mod simpar_types.mod force_env_types.mod particle_list_types.mod string_utilities.mod bibliography.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_utils.F thermal_region_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_restart_force_eval.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_delta_pulse.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod cell_types.mod particle_types.mod rt_propagation_types.mod bibliography.mod cp_fm_cholesky.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod commutator_rpnl.mod mathconstants.mod cp_cfm_diag.mod cp_blacs_env.mod qs_moments.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod moments_utils.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:10 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermal_region_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_pseudo.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_pseudo.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_operators.mod atom_fit.mod cp_log_handling.mod periodic_table.mod input_constants.mod atom_output.mod physcon.mod atom_utils.mod kinds.mod cp_output_handling.mod base_hooks.mod atom_electronic_structure.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_pseudo.F atom_pseudo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_delta_pulse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_pseudo.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod atom_sgp.mod cp_log_handling.mod physcon.mod cp_output_handling.mod atom_electronic_structure.mod atom_admm_methods.mod atom_fit.mod periodic_table.mod input_constants.mod kinds.mod mathconstants.mod atom_operators.mod atom_xc.mod atom_grb.mod atom_output.mod atom_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_energy.F atom_energy.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_fit.mod cp_log_handling.mod periodic_table.mod input_constants.mod atom_output.mod atom_utils.mod kinds.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_basis.F atom_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_energy.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod fist_nonbond_env_types.mod cp_para_types.mod atomic_kind_types.mod cp_subsys_types.mod fist_environment_types.mod molecule_kind_list_types.mod input_section_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod pair_potential_types.mod cp_log_handling.mod physcon.mod cp_files.mod string_utilities.mod cp_units.mod input_constants.mod kinds.mod mathconstants.mod message_passing.mod base_hooks.mod + 401 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr + | ^ +note: 'first_ir' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_grb.mod' due to: atom_grb.o /build/reproducible-path/cp2k-2023.1/src/atom_grb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod orbital_pointers.mod orbital_transformation_matrices.mod atom_electronic_structure.mod atom_utils.mod periodic_table.mod ai_onecenter.mod physcon.mod lapack.mod mathconstants.mod qs_grid_atom.mod kinds.mod powell.mod input_constants.mod atom_operators.mod cp_files.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_admm_methods.mod' due to: atom_admm_methods.o /build/reproducible-path/cp2k-2023.1/src/atom_admm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod atom_xc.mod base_hooks.mod atom_utils.mod kinds.mod input_constants.mod atom_operators.mod mathlib.mod atom_output.mod +true +/build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_shift.F:264:70: + + 264 | n_nics, na, natom, natom_local, natom_tot, nkind, nnics_local, nr, nra, nspins, num_pe, & + | ^ +Warning: 'nnics_local' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod pair_potential_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod fist_environment_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_section_types.mod cp_files.mod string_utilities.mod cp_units.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_types.F mc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:11 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_fxd.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_fxd.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod cp_subsys_types.mod cell_types.mod molecule_types.mod particle_types.mod force_env_types.mod atomic_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod colvar_types.mod particle_list_types.mod message_passing.mod kinds.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'motion_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod virial_types.mod cp2k_info.mod base_hooks.mod cp_units.mod particle_methods.mod cp_log_handling.mod machine.mod kinds.mod input_constants.mod physcon.mod mathlib.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion_utils.F motion_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_fxd.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_fxd.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod particle_list_types.mod distribution_1d_types.mod colvar_types.mod base_hooks.mod message_passing.mod kinds.mod util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_fxd.F constraint_fxd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_fxd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' motion_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod pao_types.mod qs_kind_types.mod dm_ls_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_files.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod pao_param.mod pao_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_io.F pao_io.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_rho_methods.mod' due to: qs_rho_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_rho_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod lri_environment_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod qs_local_rho_types.mod kpoint_types.mod qs_rho_types.mod qs_collocate_density.mod ri_environment_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod lri_environment_methods.mod pw_methods.mod cp_log_handling.mod kinds.mod qs_rho_atom_methods.mod base_hooks.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_fxd.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_fit.mod' due to: atom_fit.o /build/reproducible-path/cp2k-2023.1/src/atom_fit.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_electronic_structure.mod atom_utils.mod periodic_table.mod physcon.mod lapack.mod mathconstants.mod kinds.mod powell.mod input_constants.mod atom_operators.mod cp_files.mod atom_output.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_io.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot_minimizer.mod' due to: qs_ot_minimizer.o /build/reproducible-path/cp2k-2023.1/src/qs_ot_minimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ot_types.mod qs_ot.mod base_hooks.mod preconditioner.mod cp_log_handling.mod kinds.mod mathlib.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_efield_berry.mod' due to: qs_efield_berry.o /build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_period_efield_types.mod qs_energy_types.mod block_p_types.mod qs_kind_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod cp_fm_types.mod parallel_gemm_api.mod virial_methods.mod cp_dbcsr_operations.mod qs_moments.mod cp_cfm_basic_linalg.mod mathconstants.mod ai_moments.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod orbital_pointers.mod base_hooks.mod cp_fm_struct.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'efield_tb_methods.mod' due to: efield_tb_methods.o /build/reproducible-path/cp2k-2023.1/src/efield_tb_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_period_efield_types.mod qs_energy_types.mod qs_kind_types.mod virial_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_rho_types.mod sap_kind_types.mod virial_methods.mod mathconstants.mod message_passing.mod kinds.mod base_hooks.mod xtb_coulomb.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod ps_implicit_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod qs_mo_types.mod qs_charges_types.mod virial_types.mod lri_environment_types.mod admm_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod kpoint_types.mod cell_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod qs_collocate_density.mod pw_poisson_methods.mod lri_ks_methods.mod cp_dbcsr_operations.mod lri_environment_methods.mod pw_methods.mod xc.mod message_passing.mod qs_integrate_potential.mod cp_ddapc.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_ks_qmmm_methods.mod cp_fm_struct.mod lri_forces.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F qs_ks_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gapw_densities.mod' due to: qs_gapw_densities.o /build/reproducible-path/cp2k-2023.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_local_rho_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod qs_kind_types.mod qs_rho_atom_types.mod cp_para_types.mod qs_charges_types.mod cp_control_types.mod qs_rho_atom_methods.mod base_hooks.mod qs_rho0_ggrid.mod message_passing.mod cp_log_handling.mod kinds.mod qs_rho0_methods.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_utils.F90 /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F:1630:37: 1630 | bounds = bounds - (n3/2) - 1 @@ -60350,20 +60304,16 @@ 1583 | INTEGER :: i1, i2, i3, lb, n1, n2, n3, nzeroed, & | ^ note: 'nzeroed' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'motion_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_list_types.mod virial_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod particle_types.mod force_env_types.mod mathlib.mod cp_units.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod cp2k_info.mod particle_methods.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion_utils.F motion_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' motion_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod cp_para_types.mod input_enumeration_types.mod cp_fm_types.mod input_section_types.mod force_env_types.mod input_keyword_types.mod timings_report.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod fft_tools.mod cp_error_handling.mod cp_files.mod machine.mod cp_fm_struct.mod cp_fm_diag_utils.mod string_utilities.mod gamma.mod timings.mod input_constants.mod voronoi_interface.mod kinds.mod cp_fm_diag.mod header.mod grid_api.mod input_cp2k_global.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod local_gemm_api.mod reference_manager.mod base_hooks.mod cp2k_info.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/environment.F environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_op.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_op.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_fermi_contact.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_spin_orbit.mod kinds.mod cp_array_utils.mod mathconstants.mod qs_operators_ao.mod qs_elec_field.mod qs_moments.mod cp_fm_basic_linalg.mod orbital_pointers.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_op.F qs_linres_op.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:13 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:13 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_op.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_kind_orbitals.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod rel_control_types.mod atom_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod physcon.mod atom_electronic_structure.mod atom_fit.mod periodic_table.mod input_constants.mod kinds.mod ai_onecenter.mod mathconstants.mod qs_grid_atom.mod atom_operators.mod atom_utils.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_kind_orbitals.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot_eigensolver.mod' due to: qs_ot_eigensolver.o /build/reproducible-path/cp2k-2023.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_ot_types.mod preconditioner_types.mod cp_dbcsr_operations.mod cp_dbcsr_cholesky.mod qs_ot_minimizer.mod cp_log_handling.mod kinds.mod qs_ot.mod base_hooks.mod qs_mo_methods.mod -true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_matrices.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod block_p_types.mod qs_kind_types.mod qs_mo_types.mod virial_types.mod qs_dftb_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod atprop_types.mod input_section_types.mod mulliken.mod cp_dbcsr_cp2k_link.mod virial_methods.mod cp_dbcsr_operations.mod qs_dftb_utils.mod message_passing.mod efield_tb_methods.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod qs_dftb_coulomb.mod particle_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_adiabatic_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho_types.mod pw_types.mod hfx_types.mod cp_para_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod qs_vxc_atom.mod qs_vxc.mod hfx_derivatives.mod xc_adiabatic_methods.mod input_constants.mod hfx_communication.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_matrices.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'kg_correction.o' due to: /build/reproducible-path/cp2k-2023.1/src/kg_correction.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod pw_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod kg_environment_types.mod pw_pool_types.mod qs_rho_types.mod input_section_types.mod qs_rho_methods.mod lri_ks_methods.mod qs_vxc.mod lri_environment_methods.mod pw_methods.mod message_passing.mod ec_methods.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod lri_forces.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/kg_correction.F kg_correction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_adiabatic_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_wf_history_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_wf_history_types.mod cp_control_types.mod pw_types.mod qs_mo_types.mod qs_scf_types.mod pw_pool_types.mod qs_rho_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_matrix_pools.mod qs_rho_methods.mod cp_dbcsr_operations.mod bibliography.mod pw_methods.mod mathlib.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90 /build/reproducible-path/cp2k-2023.1/src/constraint_fxd.F:241:86: 241 | shell_particle_set(shell_index)%f(:) = force(:, natom + shell_index) @@ -60424,66 +60374,35 @@ 85 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, & | ^ note: 'core_particle_set.data' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_io.mod' due to: pao_io.o /build/reproducible-path/cp2k-2023.1/src/pao_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod pao_input.mod kinds.mod message_passing.mod pao_param.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_efield_local.mod' due to: qs_efield_local.o /build/reproducible-path/cp2k-2023.1/src/qs_efield_local.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_period_efield_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kinds.mod ai_moments.mod qs_moments.mod message_passing.mod orbital_pointers.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gapw_densities.mod' due to: qs_gapw_densities.o /build/reproducible-path/cp2k-2023.1/src/qs_gapw_densities.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho0_types.mod qs_local_rho_types.mod qs_kind_types.mod atomic_kind_types.mod qs_charges_types.mod qs_rho_atom_types.mod qs_environment_types.mod cp_control_types.mod cp_para_types.mod qs_rho0_methods.mod message_passing.mod qs_rho0_ggrid.mod cp_log_handling.mod kinds.mod qs_rho_atom_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_correction.mod' due to: kg_correction.o /build/reproducible-path/cp2k-2023.1/src/kg_correction.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod kg_environment_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod pw_types.mod cp_log_handling.mod pw_methods.mod ec_methods.mod lri_ks_methods.mod qs_integrate_potential.mod input_constants.mod kinds.mod qs_rho_methods.mod lri_environment_methods.mod lri_forces.mod message_passing.mod base_hooks.mod qs_vxc.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dftb_matrices.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod qs_mo_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_dftb_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod block_p_types.mod qs_kind_types.mod kpoint_types.mod particle_types.mod qs_dftb_utils.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod efield_tb_methods.mod kinds.mod message_passing.mod virial_methods.mod mulliken.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_dftb_coulomb.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_matrices.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod qs_dispersion_types.mod qs_mo_types.mod xtb_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod kpoint_types.mod particle_types.mod pair_potential_types.mod pair_potential.mod qs_integral_utils.mod cp_log_handling.mod cp_output_handling.mod fparser.mod ai_contraction.mod cp_dbcsr_output.mod string_utilities.mod cp_dbcsr_operations.mod qs_overlap.mod efield_tb_methods.mod kinds.mod ai_overlap.mod qs_charge_mixing.mod cp_blacs_env.mod qs_dispersion_pairpot.mod message_passing.mod virial_methods.mod orbital_pointers.mod xtb_parameters.mod pair_potential_util.mod mulliken.mod cp_dbcsr_cp2k_link.mod qs_condnum.mod xtb_coulomb.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F xtb_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dftb_matrices.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_utils.mod' due to: qs_ks_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod qs_charges_types.mod pw_grid_types.mod qs_kind_types.mod qs_cdft_types.mod cell_types.mod admm_types.mod kpoint_types.mod pw_types.mod ps_implicit_types.mod xc.mod cp_log_handling.mod cp_output_handling.mod qs_ks_qmmm_methods.mod pw_methods.mod cp_ddapc.mod lri_ks_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod input_constants.mod kinds.mod lri_environment_methods.mod qs_collocate_density.mod pw_poisson_methods.mod lri_forces.mod message_passing.mod kahan_sum.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_environment.mod' due to: ec_environment.o /build/reproducible-path/cp2k-2023.1/src/ec_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_rho_types.mod qs_dispersion_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod basis_set_container_types.mod qs_dispersion_utils.mod xc.mod bibliography.mod xc_input_constants.mod cp_log_handling.mod qs_dispersion_nonloc.mod input_cp2k_check.mod string_utilities.mod input_constants.mod kinds.mod cp_para_env.mod qs_dispersion_pairpot.mod orbital_pointers.mod base_hooks.mod qs_interactions.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_matrices.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'external_potential_methods.mod' due to: external_potential_methods.o /build/reproducible-path/cp2k-2023.1/src/external_potential_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod cp_subsys_types.mod particle_list_types.mod string_utilities.mod cp_log_handling.mod force_fields_util.mod kinds.mod memory_utilities.mod base_hooks.mod fparser.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_efield_local.mod' due to: ec_efield_local.o /build/reproducible-path/cp2k-2023.1/src/ec_efield_local.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_period_efield_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod input_constants.mod kinds.mod ai_moments.mod qs_moments.mod orbital_pointers.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mao_wfn_analysis.mod' due to: mao_wfn_analysis.o /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod mao_methods.mod bibliography.mod mao_optimizer.mod qs_neighbor_lists.mod particle_methods.mod mathlib.mod cp_dbcsr_operations.mod qs_overlap.mod iterate_matrix.mod kinds.mod cp_blacs_env.mod message_passing.mod cp_dbcsr_cholesky.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'molecular_moments.mod' due to: molecular_moments.o /build/reproducible-path/cp2k-2023.1/src/molecular_moments.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod message_passing.mod orbital_pointers.mod moments_utils.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_pdos.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_pdos.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod preconditioner_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod cp_blacs_env.mod qs_collocate_density.mod memory_utilities.mod qs_ot_eigensolver.mod message_passing.mod orbital_pointers.mod orbital_symbols.mod parallel_gemm_api.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_pdos.F qs_pdos.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_embedding_potential.mod' due to: optimize_embedding_potential.o /build/reproducible-path/cp2k-2023.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 embed_types.mod qs_rho_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod particle_types.mod pw_types.mod xc.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_files.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_fm_diag.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod qs_integrate_potential_single.mod message_passing.mod parallel_gemm_api.mod qs_kinetic.mod base_hooks.mod mixed_environment_utils.mod cp_realspace_grid_cube.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_pdos.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minbas_wfn_analysis.o' due to: /build/reproducible-path/cp2k-2023.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod minbas_methods.mod cp_log_handling.mod molden_utils.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod kinds.mod atomic_charges.mod qs_mo_methods.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod mulliken.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ex_property_calculation.mod' due to: ex_property_calculation.o /build/reproducible-path/cp2k-2023.1/src/ex_property_calculation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_p_env_types.mod qs_environment_types.mod input_section_types.mod distribution_1d_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_dbcsr_operations.mod kinds.mod cp_result_methods.mod qs_moments.mod message_passing.mod moments_utils.mod mulliken.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_direct_method.mod' due to: mp2_direct_method.o /build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod particle_types.mod libint_wrapper.mod mp2_ri_libint.mod cp_log_handling.mod machine.mod input_constants.mod hfx_load_balance_methods.mod hfx_pair_list_methods.mod kinds.mod mathconstants.mod cp_para_env.mod message_passing.mod orbital_pointers.mod hfx_energy_potential.mod t_sh_p_s_c.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minbas_wfn_analysis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_eri.mod' due to: mp2_eri.o /build/reproducible-path/cp2k-2023.1/src/mp2_eri.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eri_mme_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_integral_utils.mod libint_2c_3c.mod input_constants.mod kinds.mod ai_contraction_sphi.mod cp_eri_mme_interface.mod eri_mme_test.mod ai_coulomb.mod eri_mme_integrate.mod util.mod message_passing.mod orbital_pointers.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_im_time.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_im_time.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod qs_tensors_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod particle_types.mod kpoint_types.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod dbt_api.mod mathconstants.mod rpa_gw_im_time_util.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod qs_tensors.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_im_time.F rpa_im_time.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_optimize_ri_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod mp2_types.mod qs_kind_types.mod basis_set_types.mod basis_set_container_types.mod libint_wrapper.mod mp2_direct_method.mod mp2_ri_libint.mod cp_log_handling.mod machine.mod kinds.mod memory_utilities.mod util.mod cp_para_env.mod message_passing.mod orbital_pointers.mod orbital_symbols.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 -/build/reproducible-path/cp2k-2023.1/src/atom_energy.F:530:54: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' kg_correction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_wf_history_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_atom_current.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_linres_types.mod qs_rho_atom_types.mod cp_control_types.mod basis_set_types.mod qs_oce_types.mod qs_kind_types.mod cp_para_types.mod paw_proj_set_types.mod particle_types.mod cell_types.mod sap_kind_types.mod qs_oce_methods.mod qs_harmonics_atom.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_linres_op.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_atom_current.F qs_linres_atom_current.F90 +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:163:53: - 530 | state%occupation(lhomo, nhomo) = fhomo + dene - | ^ -Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/atom_energy.F:492:85: + 163 | number_i_subset = number_groups/number_j_subset + | ^ +Warning: 'number_j_subset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F:106:41: - 492 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & - | ^ -note: 'fhomo' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_im_time.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_gpw_method.mod' due to: mp2_gpw_method.o /build/reproducible-path/cp2k-2023.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_pool_types.mod group_dist_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod pw_methods.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod kinds.mod mp2_eri_gpw.mod cp_blacs_env.mod qs_collocate_density.mod cp_para_env.mod message_passing.mod base_hooks.mod + 106 | number_i_subset, number_j_subset, one, sqrt_number_groups, total_I_size_batch_group, & + | ^ +note: 'number_j_subset' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_update_s_mstruct.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_ddapc_types.mod qs_scf_types.mod qs_rho_types.mod task_list_types.mod pw_types.mod cp_control_types.mod qs_collocate_density.mod base_hooks.mod task_list_methods.mod qs_rho_methods.mod cp_ddapc_util.mod input_constants.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_atom_current.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_update_s_mstruct.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'environment.mod' due to: environment.o /build/reproducible-path/cp2k-2023.1/src/environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod input_section_types.mod global_types.mod cp_para_types.mod input_keyword_types.mod input_enumeration_types.mod parallel_rng_types.mod cp_fm_types.mod reference_manager.mod gamma.mod bibliography.mod cp_files.mod string_utilities.mod timings_report.mod grid_api.mod voronoi_interface.mod message_passing.mod cp_log_handling.mod local_gemm_api.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod cp_output_handling.mod cp2k_info.mod input_cp2k_global.mod base_hooks.mod orbital_transformation_matrices.mod cp_fm_struct.mod timings.mod machine.mod cp_fm_diag.mod cp_fm_diag_utils.mod cp_error_handling.mod fft_tools.mod header.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_optimize_ri_basis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_grad.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod mp2_types.mod pw_pool_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod mp2_eri.mod libint_2c_3c.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_eri_mme_interface.mod mp2_eri_gpw.mod cp_blacs_env.mod util.mod cp_para_env.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad.F mp2_ri_grad.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_util.mod' due to: qmmm_util.o /build/reproducible-path/cp2k-2023.1/src/qmmm_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod force_env_types.mod particle_types.mod qs_energy_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod input_section_types.mod fist_environment_types.mod base_hooks.mod particle_methods.mod cp_log_handling.mod mathconstants.mod kinds.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'grrm_utils.mod' due to: grrm_utils.o /build/reproducible-path/cp2k-2023.1/src/grrm_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod particle_types.mod qs_energy_types.mod qs_environment_types.mod cp_control_types.mod base_hooks.mod kinds.mod physcon.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_fxc.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_fxc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod xc_derivative_set_types.mod qs_ks_types.mod xc_rho_set_types.mod qs_rho_types.mod pw_types.mod xc_rho_cflags_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod qs_rho_methods.mod xc.mod qs_vxc.mod xc_derivatives.mod kinds.mod pw_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_fxc.F qs_fxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fxc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_fxc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minbas_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/minbas_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod lapack.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod cp_blacs_env.mod cp_fm_diag.mod mao_basis.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minbas_methods.F minbas_methods.F90 /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F:1061:92: 1061 | TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: matrix_p_tmp, mixed_matrix_p_tmp, & @@ -60530,50 +60449,59 @@ 1055 | nrow_wmat, nspins, nvar | ^ Warning: 'nspins' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_grad.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod preconditioner_types.mod qs_environment_types.mod xas_tdp_types.mod cp_log_handling.mod physcon.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod xas_tdp_kernel.mod cp_dbcsr_diag.mod input_constants.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod cp_cfm_diag.mod cp_blacs_env.mod qs_ot_eigensolver.mod cp_fm_basic_linalg.mod cp_dbcsr_cholesky.mod parallel_gemm_api.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_utils.F xas_tdp_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_atom.mod' due to: xas_tdp_atom.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod xc_derivative_types.mod xc_derivative_set_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod xas_tdp_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod particle_types.mod xc_atom.mod xc.mod qs_integral_utils.mod cp_log_handling.mod physcon.mod particle_methods.mod libint_2c_3c.mod mathlib.mod cp_dbcsr_operations.mod qs_overlap.mod xc_derivatives.mod input_constants.mod kinds.mod ai_contraction_sphi.mod dbt_api.mod cp_array_utils.mod qs_grid_atom.mod cp_blacs_env.mod memory_utilities.mod qs_harmonics_atom.mod cp_para_env.mod util.mod atom_operators.mod message_passing.mod cp_dbcsr_cholesky.mod orbital_transformation_matrices.mod xc_derivative_desc.mod lebedev.mod orbital_pointers.mod base_hooks.mod spherical_harmonics.mod xas_tdp_integrals.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_subgroups.mod' due to: qs_tddfpt2_subgroups.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod hartree_local_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod admm_types.mod particle_types.mod distribution_2d_types.mod hartree_local_methods.mod qs_neighbor_lists.mod cp_fm_struct.mod distribution_methods.mod cp_dbcsr_operations.mod pw_env_methods.mod qs_rho0_ggrid.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_rho0_methods.mod task_list_methods.mod cp_blacs_env.mod cp_para_env.mod message_passing.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minbas_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_restart.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_restart.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod xas_env_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_rho_methods.mod cp_dbcsr_operations.mod cp_files.mod string_utilities.mod message_passing.mod cp_log_handling.mod kinds.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod base_hooks.mod qs_density_matrices.mod qs_mixing_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_restart.F xas_restart.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_restart.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_embedding_potential.mod' due to: optimize_embedding_potential.o /build/reproducible-path/cp2k-2023.1/src/optimize_embedding_potential.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod lri_environment_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod embed_types.mod xc_rho_cflags_types.mod input_section_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod mixed_environment_utils.mod cp_dbcsr_operations.mod cp_files.mod mathconstants.mod pw_methods.mod xc.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod qs_integrate_potential_single.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_blacs_env.mod cp_fm_diag.mod qs_kinetic.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_pot_saop.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod xc_derivative_types.mod qs_local_rho_types.mod atomic_kind_types.mod xc_derivative_set_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod pw_types.mod xc_atom.mod xc.mod qs_gapw_densities.mod xc_xbecke88.mod pw_methods.mod cp_dbcsr_operations.mod qs_integrate_potential.mod xc_derivatives.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod cp_array_utils.mod mathconstants.mod qs_grid_atom.mod qs_collocate_density.mod qs_harmonics_atom.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc_pot_saop.F xc_pot_saop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_pot_saop.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_pdos.F:893:21: - - 893 | IF (.NOT. read_r(3, ildos)) THEN - | ^ -Warning: 'read_r.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_pdos.F:176:66: +/build/reproducible-path/cp2k-2023.1/src/minbas_methods.F:171:14: - 176 | LOGICAL, DIMENSION(:, :), POINTER :: read_r - | ^ -note: 'read_r.data' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_pdos.F:668:95: + 171 | ELSEIF (nmo /= nmx) THEN + | ^ +Warning: 'nmx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/minbas_methods.F:87:80: - 668 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol - | ^ -Warning: 'dvol' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_pdos.F:177:74: + 87 | ndep, nmao, nmo, nmx, np, np1, nspin, & + | ^ +note: 'nmx' declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mao_wfn_analysis.mod' due to: mao_wfn_analysis.o /build/reproducible-path/cp2k-2023.1/src/mao_wfn_analysis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod mao_optimizer.mod bibliography.mod qs_overlap.mod cp_dbcsr_cholesky.mod mathlib.mod message_passing.mod kinds.mod iterate_matrix.mod qs_neighbor_lists.mod base_hooks.mod particle_methods.mod cp_blacs_env.mod mao_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_ot_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod qs_ot.mod qs_ot_minimizer.mod base_hooks.mod cp_array_utils.mod cp_log_handling.mod kinds.mod qs_mo_occupation.mod cp_dbcsr_operations.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F qs_ot_scf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_direct_method.mod' due to: mp2_direct_method.o /build/reproducible-path/cp2k-2023.1/src/mp2_direct_method.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod mp2_types.mod hfx_types.mod cp_para_types.mod particle_types.mod cell_types.mod mp2_ri_libint.mod mathconstants.mod libint_wrapper.mod hfx_pair_list_methods.mod t_sh_p_s_c.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod hfx_energy_potential.mod cp_para_env.mod machine.mod hfx_load_balance_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw_im_time_util.mod' due to: rpa_gw_im_time_util.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw_im_time_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod mp2_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_tensors_types.mod cp_fm_types.mod cp_dbcsr_operations.mod rpa_communication.mod mathconstants.mod qs_tensors.mod dbt_api.mod message_passing.mod kinds.mod base_hooks.mod particle_methods.mod qs_integral_utils.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot_scf.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:1335:74: - 177 | REAL(KIND=dp) :: dh(3, 3), dvol, e_fermi, r(3), r_vec(3), & + 1335 | cdft_control%strength(igroup) | ^ -note: 'dvol' was declared here -/build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F:1924:89: - - 1924 | dedf = fval*evalfd(pot%set(kk)%gp%myid, 1, pot%set(kk)%gp%values, dx, err) - | ^ -Warning: 'fval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F:1856:98: +Warning: 'sign' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:1219:70: - 1856 | REAL(KIND=dp) :: dedf, dr, dx, energy_cutoff, err, fval, & - | ^ -note: 'fval' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kernel_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kernel_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod xc_rho_set_types.mod input_section_types.mod qs_rho_types.mod pw_pool_types.mod pw_types.mod qs_kernel_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod xc.mod cp_dbcsr_operations.mod qs_rho_methods.mod xc_derivatives.mod kinds.mod base_hooks.mod qs_tddfpt2_subgroups.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kernel_methods.F qs_kernel_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kernel_methods.F90 + 1219 | REAL(dp) :: dvol, sign + | ^ +note: 'sign' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_eri.mod' due to: mp2_eri.o /build/reproducible-path/cp2k-2023.1/src/mp2_eri.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod basis_set_types.mod qs_kind_types.mod eri_mme_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_eri_mme_interface.mod ai_contraction_sphi.mod util.mod message_passing.mod libint_2c_3c.mod kinds.mod input_constants.mod orbital_pointers.mod eri_mme_integrate.mod base_hooks.mod ai_coulomb.mod eri_mme_test.mod qs_integral_utils.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_gpw_method.mod' due to: mp2_gpw_method.o /build/reproducible-path/cp2k-2023.1/src/mp2_gpw_method.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod group_dist_types.mod cell_types.mod cp_fm_types.mod qs_collocate_density.mod cp_dbcsr_operations.mod mp2_eri_gpw.mod pw_methods.mod message_passing.mod qs_integrate_potential.mod kinds.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod machine.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_grad.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod mp2_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_eri_mme_interface.mod cp_dbcsr_operations.mod mp2_eri_gpw.mod util.mod message_passing.mod libint_2c_3c.mod mp2_eri.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad.F mp2_ri_grad.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_epr_ownutils.mod' due to: qs_linres_epr_ownutils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_linres_types.mod qs_rho_atom_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod qs_harmonics_atom.mod qs_core_energies.mod qs_linres_nmr_epr_common_utils.mod pw_methods.mod mathlib.mod util.mod pw_spline_utils.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod qs_linres_op.mod qs_grid_atom.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_grad.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dcdr_ao.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_ao.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_fm_types.mod qs_force_types.mod qs_linres_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod virial_types.mod pw_pool_types.mod pw_poisson_types.mod xc_derivative_set_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod core_ppl.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod qs_rho_methods.mod core_ppnl.mod qs_vxc.mod cp_dbcsr_operations.mod pw_methods.mod xc.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_ao.F qs_dcdr_ao.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_nmr_shift.mod' due to: qs_linres_nmr_shift.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_linres_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod qs_harmonics_atom.mod qs_linres_nmr_epr_common_utils.mod mathconstants.mod pw_methods.mod mathlib.mod util.mod pw_spline_utils.mod message_passing.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod qs_linres_op.mod qs_grid_atom.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_ao.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dcdr_ao.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_subgroups.mod' due to: qs_tddfpt2_subgroups.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_subgroups.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod hartree_local_types.mod qs_kind_types.mod task_list_types.mod input_section_types.mod molecule_kind_types.mod admm_types.mod cp_para_types.mod qs_local_rho_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod cp_fm_types.mod qs_rho0_ggrid.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod task_list_methods.mod distribution_methods.mod pw_env_methods.mod message_passing.mod hartree_local_methods.mod kinds.mod qs_rho0_methods.mod input_constants.mod qs_neighbor_lists.mod qs_rho_atom_methods.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xc_pot_saop.o' due to: /build/reproducible-path/cp2k-2023.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_fm_types.mod qs_rho_atom_types.mod cp_control_types.mod basis_set_types.mod qs_oce_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod qs_local_rho_types.mod xc_derivative_set_types.mod qs_rho_types.mod xc_rho_cflags_types.mod input_section_types.mod qs_collocate_density.mod cp_array_utils.mod xc_xbecke88.mod qs_harmonics_atom.mod cp_dbcsr_operations.mod qs_gapw_densities.mod qs_ks_atom.mod mathconstants.mod xc_derivatives.mod pw_methods.mod util.mod xc.mod qs_integrate_potential.mod kinds.mod input_constants.mod qs_rho_atom_methods.mod base_hooks.mod qs_vxc_atom.mod xc_atom.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xc_pot_saop.F xc_pot_saop.F90 /build/reproducible-path/cp2k-2023.1/src/qs_dftb_matrices.F:419:19: 419 | IF (use_virial) THEN @@ -60584,14 +60512,174 @@ 111 | LOGICAL :: defined, found, omit_headers, use_virial | ^ note: 'use_virial' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dcdr_utils.mod' due to: qs_dcdr_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod cp_result_methods.mod qs_moments.mod memory_utilities.mod message_passing.mod parallel_gemm_api.mod moments_utils.mod qs_kinetic.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F:324:47: + + 324 | DO ispin = 1, SIZE(expectation_values) + | ^ +Warning: 'expectation_values.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F:140:78: + + 140 | TYPE(cp_1d_r_p_type), ALLOCATABLE, DIMENSION(:) :: expectation_values, occupation_numbers, & + | ^ +note: 'expectation_values.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_densities.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod task_list_types.mod pw_types.mod admm_types.mod pw_pool_types.mod qs_local_rho_types.mod qs_rho_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_collocate_density.mod qs_rho_methods.mod cp_dbcsr_operations.mod qs_gapw_densities.mod kinds.mod qs_tddfpt2_subgroups.mod qs_rho_atom_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:27 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xc_pot_saop.F90 +/build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F:1143:63: + + 1143 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso + | ^ +Warning: 'dso.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_lri_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_lri_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod qs_kernel_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod basis_set_container_types.mod input_section_types.mod lri_environment_init.mod lri_ks_methods.mod auto_basis.mod cp_dbcsr_operations.mod lri_environment_methods.mod basis_set_output.mod qs_interactions.mod kinds.mod qs_tddfpt2_subgroups.mod orbital_pointers.mod qs_neighbor_lists.mod base_hooks.mod orbital_transformation_matrices.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_lri_utils.F qs_tddfpt2_lri_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_densities.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_vsite.mod' due to: constraint_vsite.o /build/reproducible-path/cp2k-2023.1/src/constraint_vsite.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod base_hooks.mod kinds.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_lri_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_lri_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'external_potential_methods.mod' due to: external_potential_methods.o /build/reproducible-path/cp2k-2023.1/src/external_potential_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod string_utilities.mod cp_log_handling.mod force_fields_util.mod kinds.mod fparser.mod memory_utilities.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'scine_utils.mod' due to: scine_utils.o /build/reproducible-path/cp2k-2023.1/src/scine_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod particle_types.mod qs_energy_types.mod cell_types.mod qs_environment_types.mod cp_control_types.mod base_hooks.mod kinds.mod physcon.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_se_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod multipole_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod qs_ks_qmmm_types.mod semi_empirical_types.mod qmmm_types_low.mod cp_para_types.mod particle_types.mod cell_types.mod cp_dbcsr_operations.mod qs_overlap.mod message_passing.mod semi_empirical_utils.mod cp_log_handling.mod semi_empirical_integrals.mod qmmm_util.mod kinds.mod input_constants.mod qs_neighbor_lists.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_se_energy.F qmmm_se_energy.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_se_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod multipole_types.mod cp_control_types.mod qs_kind_types.mod qs_ks_qmmm_types.mod semi_empirical_types.mod qmmm_types_low.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod message_passing.mod semi_empirical_utils.mod semi_empirical_integrals.mod qmmm_util.mod kinds.mod input_constants.mod base_hooks.mod semi_empirical_int_arrays.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F qmmm_se_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_se_energy.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'metadynamics_utils.mod' due to: metadynamics_utils.o /build/reproducible-path/cp2k-2023.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod input_keyword_types.mod input_enumeration_types.mod cp_para_types.mod metadynamics_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod physcon.mod machine.mod input_cp2k_free_energy.mod kinds.mod input_constants.mod cp_files.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_se_forces.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_restart_force_eval.mod' due to: input_restart_force_eval.o /build/reproducible-path/cp2k-2023.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod qs_environment_types.mod multipole_types.mod distribution_1d_types.mod cp_control_types.mod atomic_kind_list_types.mod nnp_environment_types.mod virial_types.mod molecule_kind_types.mod eip_environment_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_val_types.mod parallel_rng_types.mod input_section_types.mod cp_linked_list_input.mod cp_files.mod string_utilities.mod cp_units.mod qmmm_ff_fist.mod input_cp2k_restarts_util.mod message_passing.mod kinds.mod input_constants.mod input_restart_rng.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_opt_types.mod' due to: cell_opt_types.o /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod cell_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod cp_units.mod cp_log_handling.mod kinds.mod input_constants.mod cell_opt_utils.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermal_region_utils.mod' due to: thermal_region_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod thermal_region_types.mod simpar_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod string_utilities.mod memory_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod bibliography.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_types.mod' due to: neb_types.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_pseudo.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_pseudo.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_electronic_structure.mod atom_fit.mod atom_utils.mod periodic_table.mod cp_log_handling.mod physcon.mod kinds.mod input_constants.mod atom_operators.mod atom_output.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_pseudo.F atom_pseudo.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod atom_xc.mod atom_fit.mod atom_utils.mod atom_sgp.mod mathconstants.mod atom_operators.mod atom_grb.mod atom_electronic_structure.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod atom_output.mod cp_output_handling.mod base_hooks.mod periodic_table.mod atom_admm_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_energy.F atom_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_pseudo.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_fit.mod atom_utils.mod periodic_table.mod cp_log_handling.mod kinds.mod input_constants.mod atom_output.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_basis.F atom_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_basis.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:796:57: + + 796 | energy%hartree = energy%hartree + full_scaling*ener + | ^ +Warning: 'full_scaling' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:716:78: + + 716 | REAL(kind=dp) :: ener, full_scaling, scaling + | ^ +note: 'full_scaling' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:792:56: + + 792 | full_scaling = -dft_control%sic_scaling_a*nelec + | ^ +Warning: 'nelec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F:715:68: + + 715 | INTEGER :: i, nelec, nelec_a, nelec_b, nforce + | ^ +note: 'nelec' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_types.mod' due to: mc_types.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod pair_potential_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod fist_environment_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_section_types.mod cp_files.mod string_utilities.mod cp_units.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'motion_utils.mod' due to: motion_utils.o /build/reproducible-path/cp2k-2023.1/src/motion_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod virial_types.mod cp2k_info.mod base_hooks.mod cp_units.mod particle_methods.mod cp_log_handling.mod machine.mod kinds.mod input_constants.mod physcon.mod mathlib.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_fxd.mod' due to: constraint_fxd.o /build/reproducible-path/cp2k-2023.1/src/constraint_fxd.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cell_types.mod particle_list_types.mod distribution_1d_types.mod colvar_types.mod base_hooks.mod message_passing.mod kinds.mod util.mod +true +/build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F:209:17: + + 209 | CPASSERT(iqm == number_qm_atoms) + | ^ +Warning: 'iqm' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F:90:88: + + 90 | INTEGER :: handle, i, iatom, ikind, iqm, ispin, & + | ^ +note: 'iqm' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_io.mod' due to: pao_io.o /build/reproducible-path/cp2k-2023.1/src/pao_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod pao_types.mod qs_kind_types.mod dm_ls_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_files.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod pao_param.mod pao_input.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom_kind_orbitals.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod qs_kind_types.mod external_potential_types.mod input_section_types.mod atom_types.mod rel_control_types.mod atom_fit.mod atom_utils.mod ai_onecenter.mod mathconstants.mod atom_operators.mod atom_electronic_structure.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod periodic_table.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ot_eigensolver.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod qs_ot_types.mod cp_fm_types.mod qs_ot.mod qs_ot_minimizer.mod base_hooks.mod cp_log_handling.mod qs_mo_methods.mod cp_dbcsr_cholesky.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom_kind_orbitals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xtb_matrices.o' due to: /build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod block_p_types.mod pair_potential_types.mod qs_kind_types.mod qs_mo_types.mod virial_types.mod qs_scf_types.mod xtb_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod input_section_types.mod xtb_parameters.mod mulliken.mod cp_dbcsr_cp2k_link.mod ai_contraction.mod virial_methods.mod cp_dbcsr_operations.mod string_utilities.mod qs_overlap.mod message_passing.mod efield_tb_methods.mod pair_potential_util.mod cp_log_handling.mod pair_potential.mod qs_dispersion_pairpot.mod kinds.mod fparser.mod orbital_pointers.mod qs_condnum.mod cp_output_handling.mod base_hooks.mod ai_overlap.mod cp_dbcsr_output.mod qs_charge_mixing.mod cp_blacs_env.mod xtb_coulomb.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F xtb_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ot_eigensolver.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod task_list_types.mod pw_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod qs_local_rho_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod cp_dbcsr_operations.mod bibliography.mod qs_gapw_densities.mod qs_ks_atom.mod qs_overlap.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod qs_rho_atom_methods.mod base_hooks.mod cp_dbcsr_output.mod qs_vxc_atom.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_methods.F admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xtb_matrices.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_matrices.mod' due to: qs_dftb_matrices.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod block_p_types.mod qs_kind_types.mod qs_mo_types.mod virial_types.mod qs_dftb_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod atprop_types.mod input_section_types.mod mulliken.mod cp_dbcsr_cp2k_link.mod virial_methods.mod cp_dbcsr_operations.mod qs_dftb_utils.mod message_passing.mod efield_tb_methods.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod qs_dftb_coulomb.mod particle_methods.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_adiabatic_utils.mod' due to: xc_adiabatic_utils.o /build/reproducible-path/cp2k-2023.1/src/xc_adiabatic_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho_types.mod pw_types.mod hfx_types.mod cp_para_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod qs_vxc_atom.mod qs_vxc.mod hfx_derivatives.mod xc_adiabatic_methods.mod input_constants.mod hfx_communication.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'kg_correction.mod' due to: kg_correction.o /build/reproducible-path/cp2k-2023.1/src/kg_correction.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod pw_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod kg_environment_types.mod pw_pool_types.mod qs_rho_types.mod input_section_types.mod qs_rho_methods.mod lri_ks_methods.mod qs_vxc.mod lri_environment_methods.mod pw_methods.mod message_passing.mod ec_methods.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod lri_forces.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_util.mod' due to: qmmm_util.o /build/reproducible-path/cp2k-2023.1/src/qmmm_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_types.mod fist_environment_types.mod qs_energy_types.mod cell_types.mod input_section_types.mod particle_types.mod force_env_types.mod cp_subsys_types.mod qs_environment_types.mod qs_kind_types.mod mathconstants.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod particle_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_wf_history_methods.mod' due to: qs_wf_history_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_wf_history_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_wf_history_types.mod cp_control_types.mod pw_types.mod qs_mo_types.mod qs_scf_types.mod pw_pool_types.mod qs_rho_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_matrix_pools.mod qs_rho_methods.mod cp_dbcsr_operations.mod bibliography.mod pw_methods.mod mathlib.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'scine_utils.mod' due to: scine_utils.o /build/reproducible-path/cp2k-2023.1/src/scine_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cell_types.mod particle_types.mod force_env_types.mod qs_environment_types.mod cp_control_types.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_update_s_mstruct.mod' due to: qs_update_s_mstruct.o /build/reproducible-path/cp2k-2023.1/src/qs_update_s_mstruct.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_ddapc_types.mod qs_scf_types.mod qs_rho_types.mod task_list_types.mod pw_types.mod cp_control_types.mod qs_collocate_density.mod base_hooks.mod task_list_methods.mod qs_rho_methods.mod cp_ddapc_util.mod input_constants.mod pw_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_vsite.mod' due to: constraint_vsite.o /build/reproducible-path/cp2k-2023.1/src/constraint_vsite.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod molecule_kind_list_types.mod molecule_types.mod particle_types.mod force_env_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod molecule_list_types.mod fist_neighbor_list_types.mod qmmmx_types.mod qmmm_types_low.mod cp_para_types.mod cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod memory_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod fist_neighbor_lists.mod qmmm_util.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F qmmmx_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_fxc.mod' due to: qs_fxc.o /build/reproducible-path/cp2k-2023.1/src/qs_fxc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod xc_derivative_set_types.mod qs_ks_types.mod xc_rho_set_types.mod qs_rho_types.mod pw_types.mod xc_rho_cflags_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod qs_rho_methods.mod xc.mod qs_vxc.mod xc_derivatives.mod kinds.mod pw_methods.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:31 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minbas_methods.mod' due to: minbas_methods.o /build/reproducible-path/cp2k-2023.1/src/minbas_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod lapack.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod cp_blacs_env.mod cp_fm_diag.mod mao_basis.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_restart.mod' due to: xas_restart.o /build/reproducible-path/cp2k-2023.1/src/xas_restart.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod xas_env_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_rho_methods.mod cp_dbcsr_operations.mod cp_files.mod string_utilities.mod message_passing.mod cp_log_handling.mod kinds.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod base_hooks.mod qs_density_matrices.mod qs_mixing_utils.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot_scf.mod' due to: qs_ot_scf.o /build/reproducible-path/cp2k-2023.1/src/qs_ot_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod qs_ot_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod qs_ot.mod qs_ot_minimizer.mod base_hooks.mod cp_array_utils.mod cp_log_handling.mod kinds.mod qs_mo_occupation.mod cp_dbcsr_operations.mod cp_output_handling.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_optimize_ri_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod mp2_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod basis_set_container_types.mod mp2_ri_libint.mod memory_utilities.mod libint_wrapper.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod orbital_pointers.mod base_hooks.mod mp2_direct_method.mod orbital_symbols.mod cp_para_env.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_im_time.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_im_time.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod mp2_types.mod hfx_types.mod qs_mo_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_tensors_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod mathconstants.mod qs_tensors.mod dbt_api.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod machine.mod rpa_gw_im_time_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_im_time.F rpa_im_time.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_optimize_ri_basis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dcdr_ao.mod' due to: qs_dcdr_ao.o /build/reproducible-path/cp2k-2023.1/src/qs_dcdr_ao.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_fm_types.mod qs_force_types.mod qs_linres_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod virial_types.mod pw_pool_types.mod pw_poisson_types.mod xc_derivative_set_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod core_ppl.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod qs_rho_methods.mod core_ppnl.mod qs_vxc.mod cp_dbcsr_operations.mod pw_methods.mod xc.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_integral_utils.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_im_time.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod ewald_pw_types.mod qs_kind_types.mod hartree_local_types.mod pw_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod qs_local_rho_types.mod qs_rho_types.mod ewald_environment_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_rho0_ggrid.mod qs_rho_methods.mod cp_dbcsr_operations.mod cp_fm_vect.mod hartree_local_methods.mod kinds.mod qs_rho0_methods.mod qs_tddfpt2_subgroups.mod qs_rho_atom_methods.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_types.F qs_tddfpt2_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kernel_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kernel_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod qs_kernel_types.mod qs_rho_types.mod pw_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod qs_rho_methods.mod xc.mod xc_derivatives.mod kinds.mod qs_tddfpt2_subgroups.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kernel_methods.F qs_kernel_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kernel_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/atom_energy.F:530:54: + + 530 | state%occupation(lhomo, nhomo) = fhomo + dene + | ^ +Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/atom_energy.F:492:85: + + 492 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & + | ^ +note: 'fhomo' was declared here +/build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F:570:76: + + 570 | CALL set_atomic_kind(atomic_kind=atomic_kind, name=kind_name_a(ik)) + | ^ +Warning: 'atomic_kind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F:533:71: + + 533 | TYPE(atomic_kind_type), POINTER :: atomic_kind + | ^ +note: 'atomic_kind' was declared here +/build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F:1924:89: + + 1924 | dedf = fval*evalfd(pot%set(kk)%gp%myid, 1, pot%set(kk)%gp%values, dx, err) + | ^ +Warning: 'fval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F:1856:98: + + 1856 | REAL(KIND=dp) :: dedf, dr, dx, energy_cutoff, err, fval, & + | ^ +note: 'fval' was declared here /build/reproducible-path/cp2k-2023.1/src/qs_kernel_methods.F:119:83: 119 | dbcsr_dist=dbcsr_dist, sab=sab_orb) @@ -60602,24 +60690,81 @@ 84 | TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s, rho_ia_ao | ^ note: 'matrix_s.data' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'grrm_utils.mod' due to: grrm_utils.o /build/reproducible-path/cp2k-2023.1/src/grrm_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod particle_types.mod force_env_types.mod qs_environment_types.mod cp_control_types.mod physcon.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'metadynamics_utils.mod' due to: metadynamics_utils.o /build/reproducible-path/cp2k-2023.1/src/metadynamics_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod cp_para_types.mod input_enumeration_types.mod input_keyword_types.mod input_section_types.mod metadynamics_types.mod force_env_types.mod input_cp2k_free_energy.mod message_passing.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_files.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_densities.mod' due to: qs_tddfpt2_densities.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod task_list_types.mod pw_types.mod admm_types.mod pw_pool_types.mod qs_local_rho_types.mod qs_rho_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_collocate_density.mod qs_rho_methods.mod cp_dbcsr_operations.mod qs_gapw_densities.mod kinds.mod qs_tddfpt2_subgroups.mod qs_rho_atom_methods.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_opt_types.mod' due to: cell_opt_types.o /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cp_units.mod cell_opt_utils.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_lri_utils.mod' due to: qs_tddfpt2_lri_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_lri_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod qs_kernel_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod basis_set_container_types.mod input_section_types.mod lri_environment_init.mod lri_ks_methods.mod auto_basis.mod cp_dbcsr_operations.mod lri_environment_methods.mod basis_set_output.mod qs_interactions.mod kinds.mod qs_tddfpt2_subgroups.mod orbital_pointers.mod qs_neighbor_lists.mod base_hooks.mod orbital_transformation_matrices.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_types.mod' due to: neb_types.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod input_constants.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_atom.mod' due to: xas_tdp_atom.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod cp_para_types.mod xc_derivative_set_types.mod particle_types.mod cell_types.mod xas_tdp_types.mod qs_rho_types.mod xc_rho_cflags_types.mod input_section_types.mod spherical_harmonics.mod cp_array_utils.mod lebedev.mod qs_harmonics_atom.mod cp_dbcsr_operations.mod memory_utilities.mod xas_tdp_integrals.mod qs_overlap.mod xc_derivatives.mod cp_dbcsr_cholesky.mod atom_operators.mod mathlib.mod ai_contraction_sphi.mod util.mod dbt_api.mod xc.mod message_passing.mod cp_log_handling.mod libint_2c_3c.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod base_hooks.mod orbital_transformation_matrices.mod particle_methods.mod cp_para_env.mod qs_grid_atom.mod xc_atom.mod cp_blacs_env.mod qs_integral_utils.mod xc_derivative_desc.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_restart_force_eval.mod' due to: input_restart_force_eval.o /build/reproducible-path/cp2k-2023.1/src/input_restart_force_eval.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod virial_types.mod parallel_rng_types.mod cp_para_types.mod cp_control_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod qs_environment_types.mod eip_environment_types.mod input_section_types.mod multipole_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod nnp_environment_types.mod cell_types.mod input_val_types.mod atomic_kind_list_types.mod cp_linked_list_input.mod input_restart_rng.mod input_cp2k_restarts_util.mod cp_files.mod string_utilities.mod cp_units.mod input_constants.mod kinds.mod message_passing.mod qmmm_ff_fist.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_cdft_utils.mod' due to: mixed_cdft_utils.o /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod input_section_types.mod qs_cdft_types.mod global_types.mod mixed_environment_types.mod cp_subsys_types.mod pw_pool_types.mod mixed_cdft_types.mod cell_types.mod pw_grid_types.mod cp_fm_types.mod cp_array_utils.mod cube_utils.mod cp_realspace_grid_init.mod cp_dbcsr_operations.mod cp_files.mod d3_poly.mod gaussian_gridlevels.mod pw_env_methods.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod pw_grids.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermal_region_utils.mod' due to: thermal_region_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/thermal_region_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod thermal_region_types.mod input_section_types.mod simpar_types.mod force_env_types.mod particle_list_types.mod string_utilities.mod bibliography.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_se_energy.mod' due to: qmmm_se_energy.o /build/reproducible-path/cp2k-2023.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod multipole_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod qs_ks_qmmm_types.mod semi_empirical_types.mod qmmm_types_low.mod cp_para_types.mod particle_types.mod cell_types.mod cp_dbcsr_operations.mod qs_overlap.mod message_passing.mod semi_empirical_utils.mod cp_log_handling.mod semi_empirical_integrals.mod qmmm_util.mod kinds.mod input_constants.mod qs_neighbor_lists.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod semi_empirical_int_arrays.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_delta_pulse.mod' due to: rt_delta_pulse.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_delta_pulse.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod cell_types.mod particle_types.mod rt_propagation_types.mod bibliography.mod cp_fm_cholesky.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod commutator_rpnl.mod mathconstants.mod cp_cfm_diag.mod cp_blacs_env.mod qs_moments.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod moments_utils.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_tb_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod ewald_pw_types.mod qs_kind_types.mod qs_ks_qmmm_types.mod qs_dftb_types.mod xtb_types.mod qmmm_types_low.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod qs_rho_types.mod ewald_environment_types.mod input_section_types.mod mulliken.mod cp_dbcsr_operations.mod spme.mod qs_overlap.mod qs_dftb_utils.mod qs_dftb_matrices.mod message_passing.mod qmmm_util.mod kinds.mod input_constants.mod qs_neighbor_lists.mod base_hooks.mod qs_dftb_coulomb.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_se_forces.mod' due to: qmmm_se_forces.o /build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod multipole_types.mod cp_control_types.mod qs_kind_types.mod qs_ks_qmmm_types.mod semi_empirical_types.mod qmmm_types_low.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod message_passing.mod semi_empirical_utils.mod semi_empirical_integrals.mod qmmm_util.mod kinds.mod input_constants.mod base_hooks.mod semi_empirical_int_arrays.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_md_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod input_section_types.mod particle_types.mod neb_types.mod cp_units.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_tb_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_4x6.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_4x6.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod base_hooks.mod constraint_fxd.mod kinds.mod linear_systems.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_4x6.F constraint_4x6.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_3x3.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_3x3.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod base_hooks.mod constraint_fxd.mod kinds.mod linear_systems.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_3x3.F constraint_3x3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:34 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_4x6.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod pw_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod rt_propagation_types.mod input_section_types.mod qs_collocate_density.mod qs_rho_methods.mod cp_dbcsr_operations.mod memory_utilities.mod mathconstants.mod qs_overlap.mod qs_dftb_matrices.mod pw_methods.mod cp_fm_vect.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod qs_mo_io.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod qs_density_matrices.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_3x3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gopt_f_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod gopt_param_types.mod cell_opt_types.mod space_groups_types.mod particle_list_types.mod global_types.mod dimer_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_types.F gopt_f_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_md_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod global_types.mod neb_types.mod input_section_types.mod base_hooks.mod cp_units.mod kinds.mod input_constants.mod physcon.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_md_utils.F neb_md_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_basis.mod' due to: atom_basis.o /build/reproducible-path/cp2k-2023.1/src/atom_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_fit.mod cp_log_handling.mod periodic_table.mod input_constants.mod atom_output.mod atom_utils.mod kinds.mod cp_output_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gopt_f_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_energy.mod' due to: atom_energy.o /build/reproducible-path/cp2k-2023.1/src/atom_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod atom_xc.mod atom_fit.mod atom_utils.mod atom_sgp.mod mathconstants.mod atom_operators.mod atom_grb.mod atom_electronic_structure.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod atom_output.mod cp_output_handling.mod base_hooks.mod periodic_table.mod atom_admm_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_pseudo.mod' due to: atom_pseudo.o /build/reproducible-path/cp2k-2023.1/src/atom_pseudo.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_electronic_structure.mod atom_fit.mod atom_utils.mod periodic_table.mod cp_log_handling.mod physcon.mod kinds.mod input_constants.mod atom_operators.mod atom_output.mod cp_output_handling.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:35 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_md_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_basis.mod' due to: atom_basis.o /build/reproducible-path/cp2k-2023.1/src/atom_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod base_hooks.mod atom_fit.mod atom_utils.mod periodic_table.mod cp_log_handling.mod kinds.mod input_constants.mod atom_output.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:1403:37: + + 1403 | force_ab = -fsr*rij/dr + | ^ +Warning: 'fsr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:1358:82: + + 1358 | REAL(KIND=dp) :: dr, drm, drp, dsr, fsr, qeff, rt1, rt2, & + | ^ +note: 'fsr' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_move_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mc_types.mod base_hooks.mod mathconstants.mod kinds.mod physcon.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_move_control.F mc_move_control.F90 +/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:899:13: + + 899 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:845:76: + + 845 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & + | ^ +note: 'do_dftb' was declared here +/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:901:17: + + 901 | ELSEIF (do_xtb) THEN + | ^ +Warning: 'do_xtb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:845:99: + + 845 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & + | ^ +note: 'do_xtb' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_misc.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod base_hooks.mod mathconstants.mod kinds.mod physcon.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_misc.F mc_misc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_move_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_misc.F90 /build/reproducible-path/cp2k-2023.1/src/rpa_im_time.F:586:74: 586 | 'Occupancy of 3c ints:', REAL(nze_O, dp), '/', occ_O*100, '%' @@ -60680,31 +60825,6 @@ 185 | INTEGER(int_8) :: nze, nze_dm_occ, nze_dm_virt, nze_M_occ, & | ^ note: 'nze_m_occ' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_md_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_energy.mod' due to: atom_energy.o /build/reproducible-path/cp2k-2023.1/src/atom_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atom_types.mod input_section_types.mod atom_sgp.mod cp_log_handling.mod physcon.mod cp_output_handling.mod atom_electronic_structure.mod atom_admm_methods.mod atom_fit.mod periodic_table.mod input_constants.mod kinds.mod mathconstants.mod atom_operators.mod atom_xc.mod atom_grb.mod atom_output.mod atom_utils.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_pseudo.mod' due to: atom_pseudo.o /build/reproducible-path/cp2k-2023.1/src/atom_pseudo.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod atom_operators.mod atom_fit.mod cp_log_handling.mod periodic_table.mod input_constants.mod atom_output.mod physcon.mod atom_utils.mod kinds.mod cp_output_handling.mod base_hooks.mod atom_electronic_structure.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_types.mod' due to: mc_types.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod fist_nonbond_env_types.mod cp_para_types.mod atomic_kind_types.mod cp_subsys_types.mod fist_environment_types.mod molecule_kind_list_types.mod input_section_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod pair_potential_types.mod cp_log_handling.mod physcon.mod cp_files.mod string_utilities.mod cp_units.mod input_constants.mod kinds.mod mathconstants.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_fxd.mod' due to: constraint_fxd.o /build/reproducible-path/cp2k-2023.1/src/constraint_fxd.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_kind_list_types.mod cp_subsys_types.mod cell_types.mod molecule_types.mod particle_types.mod force_env_types.mod atomic_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod colvar_types.mod particle_list_types.mod message_passing.mod kinds.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'motion_utils.mod' due to: motion_utils.o /build/reproducible-path/cp2k-2023.1/src/motion_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_list_types.mod virial_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod particle_types.mod force_env_types.mod mathlib.mod cp_units.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod cp2k_info.mod particle_methods.mod machine.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'environment.mod' due to: environment.o /build/reproducible-path/cp2k-2023.1/src/environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod cp_para_types.mod input_enumeration_types.mod cp_fm_types.mod input_section_types.mod force_env_types.mod input_keyword_types.mod timings_report.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod fft_tools.mod cp_error_handling.mod cp_files.mod machine.mod cp_fm_struct.mod cp_fm_diag_utils.mod string_utilities.mod gamma.mod timings.mod input_constants.mod voronoi_interface.mod kinds.mod cp_fm_diag.mod header.mod grid_api.mod input_cp2k_global.mod message_passing.mod orbital_transformation_matrices.mod orbital_pointers.mod local_gemm_api.mod reference_manager.mod base_hooks.mod cp2k_info.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_op.mod' due to: qs_linres_op.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_op.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_fermi_contact.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_spin_orbit.mod kinds.mod cp_array_utils.mod mathconstants.mod qs_operators_ao.mod qs_elec_field.mod qs_moments.mod cp_fm_basic_linalg.mod orbital_pointers.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_cdft_opt_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod preconditioner_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_charges_types.mod qs_kind_types.mod qs_cdft_types.mod admm_types.mod particle_types.mod kpoint_types.mod ps_implicit_types.mod qs_sccs.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod cp_dbcsr_output.mod cp_fm_struct.mod cp_units.mod input_constants.mod admm_utils.mod kinds.mod qs_mo_methods.mod cp_blacs_env.mod qs_ot_eigensolver.mod kahan_sum.mod qmmm_image_charge.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_output.F qs_scf_output.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_ml.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_ml.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod atomic_kind_types.mod cell_types.mod pao_types.mod particle_types.mod qs_environment_types.mod cp_para_types.mod message_passing.mod pao_io.mod pao_ml_descriptor.mod pao_ml_gaussprocess.mod pao_input.mod kinds.mod pao_ml_neuralnet.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_ml.F pao_ml.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_output.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_efield_berry.mod' due to: qs_efield_berry.o /build/reproducible-path/cp2k-2023.1/src/qs_efield_berry.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_energy_types.mod virial_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_period_efield_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod ai_moments.mod mathconstants.mod qs_moments.mod cp_fm_basic_linalg.mod message_passing.mod virial_methods.mod orbital_pointers.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_ml.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'admm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/admm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_mo_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod admm_types.mod pw_types.mod bibliography.mod cp_fm_cholesky.mod cp_log_handling.mod qs_gapw_densities.mod cp_output_handling.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod qs_overlap.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod cp_fm_diag.mod qs_collocate_density.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_vxc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/admm_methods.F admm_methods.F90 /build/reproducible-path/cp2k-2023.1/src/motion/neb_md_utils.F:119:47: 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) @@ -60715,106 +60835,11 @@ 74 | INTEGER :: iatom, ivar, natom, nparticle, nvar | ^ note: 'nvar' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' admm_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dftb_matrices.mod' due to: qs_dftb_matrices.o /build/reproducible-path/cp2k-2023.1/src/qs_dftb_matrices.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod qs_mo_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_dftb_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod block_p_types.mod qs_kind_types.mod kpoint_types.mod particle_types.mod qs_dftb_utils.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod efield_tb_methods.mod kinds.mod message_passing.mod virial_methods.mod mulliken.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_dftb_coulomb.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_pdos.mod' due to: qs_pdos.o /build/reproducible-path/cp2k-2023.1/src/qs_pdos.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod preconditioner_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod cp_blacs_env.mod qs_collocate_density.mod memory_utilities.mod qs_ot_eigensolver.mod message_passing.mod orbital_pointers.mod orbital_symbols.mod parallel_gemm_api.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minbas_wfn_analysis.mod' due to: minbas_wfn_analysis.o /build/reproducible-path/cp2k-2023.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod minbas_methods.mod cp_log_handling.mod molden_utils.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod kinds.mod atomic_charges.mod qs_mo_methods.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod mulliken.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod hartree_local_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod pw_pool_types.mod qs_kind_types.mod admm_types.mod cp_fm_pool_types.mod pw_types.mod hartree_local_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod kinds.mod qs_rho_atom_methods.mod qs_rho_methods.mod qs_rho0_methods.mod cp_blacs_env.mod cp_fm_vect.mod parallel_gemm_api.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_types.F qs_tddfpt2_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_lri_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_lri_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kernel_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod basis_set_container_types.mod basis_set_output.mod qs_neighbor_lists.mod qs_tddfpt2_subgroups.mod lri_ks_methods.mod cp_dbcsr_operations.mod auto_basis.mod kinds.mod lri_environment_methods.mod lri_environment_init.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod qs_interactions.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_lri_utils.F qs_tddfpt2_lri_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_lri_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_lri_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_densities.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod qs_local_rho_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_pool_types.mod admm_types.mod pw_types.mod qs_gapw_densities.mod qs_tddfpt2_subgroups.mod cp_dbcsr_operations.mod kinds.mod qs_rho_atom_methods.mod qs_rho_methods.mod qs_collocate_density.mod parallel_gemm_api.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_densities.F90 -/build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F:944:87: - - 944 | max_min_exp_per_l(1, la) = MAX(max_min_exp_per_l(1, la), exp_limits(1, ikind)) - | ^ -Warning: 'la' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F:894:68: - - 894 | iset, la - | ^ -note: 'la' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kernel_methods.mod' due to: qs_kernel_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_kernel_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod xc_rho_set_types.mod input_section_types.mod qs_rho_types.mod pw_pool_types.mod pw_types.mod qs_kernel_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod xc.mod cp_dbcsr_operations.mod qs_rho_methods.mod xc_derivatives.mod kinds.mod base_hooks.mod qs_tddfpt2_subgroups.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_epr_ownutils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_rho_atom_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod mathlib.mod qs_core_energies.mod kinds.mod pw_spline_utils.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod qs_linres_op.mod base_hooks.mod qs_linres_nmr_epr_common_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_epr_ownutils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_nmr_shift.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod mathlib.mod kinds.mod pw_spline_utils.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod qs_linres_op.mod base_hooks.mod qs_linres_nmr_epr_common_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_shift.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_se_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod qs_ks_qmmm_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qmmm_types_low.mod multipole_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod input_constants.mod kinds.mod qmmm_util.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_integrals.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F qmmm_se_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_se_forces.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_tb_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod xtb_types.mod pw_poisson_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod atomic_kind_types.mod qs_ks_types.mod qmmm_types_low.mod qs_dftb_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod ewald_pw_types.mod qs_kind_types.mod cell_types.mod particle_types.mod qs_dftb_utils.mod qs_dftb_matrices.mod qs_neighbor_lists.mod cp_dbcsr_operations.mod qs_overlap.mod spme.mod input_constants.mod kinds.mod qmmm_util.mod message_passing.mod mulliken.mod base_hooks.mod qs_dftb_coulomb.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_se_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qmmm_types_low.mod qs_neighbor_list_types.mod multipole_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod qs_neighbor_lists.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod qmmm_util.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_integrals.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_se_energy.F qmmm_se_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_tb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_se_energy.F90 -/build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F:209:17: - - 209 | CPASSERT(iqm == number_qm_atoms) - | ^ -Warning: 'iqm' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F:90:88: - - 90 | INTEGER :: handle, i, iatom, ikind, iqm, ispin, & - | ^ -note: 'iqm' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_para_types.mod qmmm_types.mod atomic_kind_types.mod molecule_types.mod qmmmx_types.mod cp_subsys_types.mod qmmm_types_low.mod fist_neighbor_list_types.mod input_section_types.mod particle_list_types.mod cell_types.mod particle_types.mod cp_log_handling.mod kinds.mod qmmm_util.mod memory_utilities.mod qmmm_ff_fist.mod fist_neighbor_lists.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F qmmmx_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_cdft_utils.mod' due to: mixed_cdft_utils.o /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_cdft_types.mod hirshfeld_types.mod global_types.mod cp_control_types.mod atomic_kind_types.mod mixed_environment_types.mod pw_env_types.mod cp_fm_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod qs_cdft_types.mod cell_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod cp_files.mod cube_utils.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_realspace_grid_init.mod pw_env_methods.mod input_constants.mod kinds.mod gaussian_gridlevels.mod cp_array_utils.mod pw_grids.mod cp_blacs_env.mod d3_poly.mod message_passing.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_4x6.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_4x6.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod linear_systems.mod constraint_fxd.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_4x6.F constraint_4x6.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_3x3.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_3x3.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod linear_systems.mod constraint_fxd.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_3x3.F constraint_3x3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_4x6.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_3x3.F90 -/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:1403:37: - - 1403 | force_ab = -fsr*rij/dr - | ^ -Warning: 'fsr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:1358:82: - - 1358 | REAL(KIND=dp) :: dr, drm, drp, dsr, fsr, qeff, rt1, rt2, & - | ^ -note: 'fsr' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gopt_f_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod global_types.mod gopt_param_types.mod input_section_types.mod cell_opt_types.mod force_env_types.mod cp_subsys_types.mod dimer_types.mod particle_list_types.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_types.F gopt_f_types.F90 -/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:899:13: - - 899 | IF (do_dftb) THEN - | ^ -Warning: 'do_dftb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:845:76: - - 845 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & - | ^ -note: 'do_dftb' was declared here -/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:901:17: - - 901 | ELSEIF (do_xtb) THEN - | ^ -Warning: 'do_xtb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:845:99: - - 845 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & - | ^ -note: 'do_xtb' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod rt_propagation_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod qs_dftb_matrices.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod qs_rho_methods.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_density_matrices.mod cp_fm_vect.mod orbital_pointers.mod qs_mo_io.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gopt_f_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermostat_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod molecule_list_types.mod shell_potential_types.mod extended_system_types.mod distribution_1d_types.mod simpar_types.mod thermostat_types.mod molecule_kind_types.mod cp_para_types.mod qmmm_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod cp_units.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod motion_utils.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'colvar_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/colvar_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod cp_parser_types.mod qs_environment_types.mod wannier_states_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod cp_subsys_types.mod input_keyword_types.mod particle_types.mod cell_types.mod input_enumeration_types.mod mixed_energy_types.mod particle_list_types.mod input_section_types.mod constraint_fxd.mod mixed_environment_utils.mod rmsd.mod spherical_harmonics.mod force_fields_util.mod input_cp2k_colvar.mod memory_utilities.mod string_utilities.mod cp_units.mod cp_parser_methods.mod mathconstants.mod mathlib.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod fparser.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/colvar_methods.F colvar_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermostat_utils.F90 /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:656:13: 656 | IF (do_dftb) THEN @@ -60835,20 +60860,10 @@ 609 | LOGICAL :: defined, do_dftb, do_xtb, found | ^ note: 'do_xtb' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_md_utils.mod' due to: neb_md_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod input_section_types.mod particle_types.mod neb_types.mod cp_units.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_shift.F:264:70: - - 264 | n_nics, na, natom, natom_local, natom_tot, nkind, nnics_local, nr, nra, nspins, num_pe, & - | ^ -Warning: 'nnics_local' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_basis.mod header.mod atom_energy.mod cp_log_handling.mod periodic_table.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod atom_pseudo.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom.F atom.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_misc.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod mathconstants.mod physcon.mod kinds.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_misc.F mc_misc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_ml.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_ml.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pao_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod pao_ml_neuralnet.mod message_passing.mod pao_ml_gaussprocess.mod pao_ml_descriptor.mod machine.mod pao_io.mod kinds.mod pao_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_ml.F pao_ml.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' colvar_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_ml.F90 /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:377:10: 377 | IF (do_dftb) THEN @@ -60869,11 +60884,18 @@ 324 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & | ^ note: 'do_xtb' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_move_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mc_types.mod mathconstants.mod physcon.mod base_hooks.mod kinds.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_move_control.F mc_move_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_misc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:35 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_move_control.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_kind_orbitals.mod' due to: atom_kind_orbitals.o /build/reproducible-path/cp2k-2023.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod basis_set_types.mod qs_kind_types.mod external_potential_types.mod input_section_types.mod atom_types.mod rel_control_types.mod atom_fit.mod atom_utils.mod ai_onecenter.mod mathconstants.mod atom_operators.mod atom_electronic_structure.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod periodic_table.mod qs_grid_atom.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ot_eigensolver.mod' due to: qs_ot_eigensolver.o /build/reproducible-path/cp2k-2023.1/src/qs_ot_eigensolver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 preconditioner_types.mod qs_ot_types.mod cp_fm_types.mod qs_ot.mod qs_ot_minimizer.mod base_hooks.mod cp_log_handling.mod qs_mo_methods.mod cp_dbcsr_cholesky.mod kinds.mod cp_dbcsr_operations.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_utils.mod' due to: qs_ks_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod ps_implicit_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod qs_mo_types.mod qs_charges_types.mod virial_types.mod lri_environment_types.mod admm_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod kpoint_types.mod cell_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod qs_collocate_density.mod pw_poisson_methods.mod lri_ks_methods.mod cp_dbcsr_operations.mod lri_environment_methods.mod pw_methods.mod xc.mod message_passing.mod qs_integrate_potential.mod cp_ddapc.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_ks_qmmm_methods.mod cp_fm_struct.mod lri_forces.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_methods.mod' due to: admm_methods.o /build/reproducible-path/cp2k-2023.1/src/admm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod qs_energy_types.mod task_list_types.mod pw_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod qs_local_rho_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod qs_vxc.mod cp_dbcsr_operations.mod bibliography.mod qs_gapw_densities.mod qs_ks_atom.mod qs_overlap.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod qs_rho_atom_methods.mod base_hooks.mod cp_dbcsr_output.mod qs_vxc_atom.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_cdft_opt_types.mod cp_control_types.mod qs_energy_types.mod ps_implicit_types.mod qs_kind_types.mod qs_mo_types.mod qs_charges_types.mod preconditioner_types.mod admm_types.mod qs_scf_types.mod qs_cdft_types.mod cp_para_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod cp_units.mod qs_ot_eigensolver.mod qmmm_image_charge.mod cp_log_handling.mod kahan_sum.mod qs_mo_methods.mod kinds.mod qs_sccs.mod input_constants.mod physcon.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod cp_fm_struct.mod machine.mod admm_utils.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_output.F qs_scf_output.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hirshfeld_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_result_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod cp_result_methods.mod cp_units.mod mathconstants.mod pw_methods.mod grid_api.mod atom_kind_orbitals.mod message_passing.mod kinds.mod input_constants.mod base_hooks.mod periodic_table.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hirshfeld_methods.F hirshfeld_methods.F90 /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:277:10: 277 | IF (do_dftb) THEN @@ -60894,10 +60916,24 @@ 252 | LOGICAL :: do_dftb, do_xtb | ^ note: 'do_xtb' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'colvar_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/colvar_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod input_enumeration_types.mod mixed_energy_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod wannier_states_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod input_keyword_types.mod cell_types.mod particle_types.mod colvar_types.mod cp_log_handling.mod force_fields_util.mod cp_output_handling.mod fparser.mod mathlib.mod string_utilities.mod cp_units.mod input_cp2k_colvar.mod cp_parser_methods.mod input_constants.mod kinds.mod mathconstants.mod constraint_fxd.mod memory_utilities.mod message_passing.mod kahan_sum.mod rmsd.mod base_hooks.mod spherical_harmonics.mod mixed_environment_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/colvar_methods.F colvar_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermostat_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_para_types.mod qmmm_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod shell_potential_types.mod input_section_types.mod extended_system_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod cp_units.mod input_constants.mod kinds.mod motion_utils.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_output.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_atom_current.mod' due to: qs_linres_atom_current.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_linres_types.mod qs_rho_atom_types.mod cp_control_types.mod basis_set_types.mod qs_oce_types.mod qs_kind_types.mod cp_para_types.mod paw_proj_set_types.mod particle_types.mod cell_types.mod sap_kind_types.mod qs_oce_methods.mod qs_harmonics_atom.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_linres_op.mod qs_grid_atom.mod +true +/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:1278:70: + + 1278 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) + | 1 +Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:1288:80: + + 1288 | tag_comp1 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(1)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:1291:80: + + 1291 | tag_comp2 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(2)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F:161:10: 161 | IF (do_dftb) THEN @@ -60918,111 +60954,52 @@ 115 | LOGICAL :: defined, do_dftb, do_xtb, found | ^ note: 'do_xtb' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' colvar_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_atom_current.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod sap_kind_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod paw_proj_set_types.mod qs_linres_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_oce_methods.mod cp_log_handling.mod input_constants.mod kinds.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod orbital_pointers.mod qs_linres_op.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_atom_current.F qs_linres_atom_current.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermostat_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F:570:76: - - 570 | CALL set_atomic_kind(atomic_kind=atomic_kind, name=kind_name_a(ik)) - | ^ -Warning: 'atomic_kind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F:533:71: - - 533 | TYPE(atomic_kind_type), POINTER :: atomic_kind - | ^ -note: 'atomic_kind' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom_kind_orbitals.mod' due to: atom_kind_orbitals.o /build/reproducible-path/cp2k-2023.1/src/atom_kind_orbitals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod rel_control_types.mod atom_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod physcon.mod atom_electronic_structure.mod atom_fit.mod periodic_table.mod input_constants.mod kinds.mod ai_onecenter.mod mathconstants.mod qs_grid_atom.mod atom_operators.mod atom_utils.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_output.mod' due to: qs_scf_output.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_cdft_opt_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod preconditioner_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_charges_types.mod qs_kind_types.mod qs_cdft_types.mod admm_types.mod particle_types.mod kpoint_types.mod ps_implicit_types.mod qs_sccs.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod cp_dbcsr_output.mod cp_fm_struct.mod cp_units.mod input_constants.mod admm_utils.mod kinds.mod qs_mo_methods.mod cp_blacs_env.mod qs_ot_eigensolver.mod kahan_sum.mod qmmm_image_charge.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hirshfeld_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'sirius_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/sirius_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod atomic_kind_types.mod qs_kind_types.mod external_potential_types.mod cp_para_types.mod pwdft_environment_types.mod atom_types.mod particle_types.mod cell_types.mod input_section_types.mod input_cp2k_pwdft.mod atom_utils.mod atom_upf.mod mathconstants.mod atom_kind_orbitals.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_grid_atom.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/sirius_interface.F sirius_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_util.mod' due to: qmmmx_util.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod molecule_list_types.mod fist_neighbor_list_types.mod qmmmx_types.mod qmmm_types_low.mod cp_para_types.mod cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod memory_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod fist_neighbor_lists.mod qmmm_util.mod kinds.mod base_hooks.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_atom_current.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_ml.mod' due to: pao_ml.o /build/reproducible-path/cp2k-2023.1/src/pao_ml.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod atomic_kind_types.mod cell_types.mod pao_types.mod particle_types.mod qs_environment_types.mod cp_para_types.mod message_passing.mod pao_io.mod pao_ml_descriptor.mod pao_ml_gaussprocess.mod pao_input.mod kinds.mod pao_ml_neuralnet.mod base_hooks.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' sirius_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_pdos.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_pdos.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod preconditioner_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod memory_utilities.mod qs_ot_eigensolver.mod message_passing.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod orbital_symbols.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_pdos.F qs_pdos.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'minbas_wfn_analysis.o' due to: /build/reproducible-path/cp2k-2023.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod mulliken.mod cp_dbcsr_operations.mod bibliography.mod molden_utils.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod iterate_matrix.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod minbas_methods.mod particle_methods.mod atomic_charges.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_pdos.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_grad.mod' due to: mp2_ri_grad.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod mp2_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_eri_mme_interface.mod cp_dbcsr_operations.mod mp2_eri_gpw.mod util.mod message_passing.mod libint_2c_3c.mod mp2_eri.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'admm_methods.mod' due to: admm_methods.o /build/reproducible-path/cp2k-2023.1/src/admm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_mo_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod admm_types.mod pw_types.mod bibliography.mod cp_fm_cholesky.mod cp_log_handling.mod qs_gapw_densities.mod cp_output_handling.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod qs_overlap.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod cp_fm_diag.mod qs_collocate_density.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_vxc.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' minbas_wfn_analysis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_types.mod' due to: qs_tddfpt2_types.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod ewald_pw_types.mod qs_kind_types.mod hartree_local_types.mod pw_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod qs_local_rho_types.mod qs_rho_types.mod ewald_environment_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_rho0_ggrid.mod qs_rho_methods.mod cp_dbcsr_operations.mod cp_fm_vect.mod hartree_local_methods.mod kinds.mod qs_rho0_methods.mod qs_tddfpt2_subgroups.mod qs_rho_atom_methods.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_matrices.mod' due to: xtb_matrices.o /build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod qs_dispersion_types.mod qs_mo_types.mod xtb_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod block_p_types.mod qs_kind_types.mod basis_set_types.mod kpoint_types.mod particle_types.mod pair_potential_types.mod pair_potential.mod qs_integral_utils.mod cp_log_handling.mod cp_output_handling.mod fparser.mod ai_contraction.mod cp_dbcsr_output.mod string_utilities.mod cp_dbcsr_operations.mod qs_overlap.mod efield_tb_methods.mod kinds.mod ai_overlap.mod qs_charge_mixing.mod cp_blacs_env.mod qs_dispersion_pairpot.mod message_passing.mod virial_methods.mod orbital_pointers.mod xtb_parameters.mod pair_potential_util.mod mulliken.mod cp_dbcsr_cp2k_link.mod qs_condnum.mod xtb_coulomb.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kernel_methods.mod' due to: qs_kernel_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_kernel_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_pool_types.mod pw_env_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod qs_kernel_types.mod qs_rho_types.mod pw_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod qs_rho_methods.mod xc.mod xc_derivatives.mod kinds.mod qs_tddfpt2_subgroups.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_atomic_block.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_atomic_block.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod particle_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod atom_kind_orbitals.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_atomic_block.F qs_atomic_block.F90 -/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:1278:70: - - 1278 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) - | 1 -Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:1288:80: +/build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F:944:87: - 1288 | tag_comp1 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(1)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:1291:80: + 944 | max_min_exp_per_l(1, la) = MAX(max_min_exp_per_l(1, la), exp_limits(1, ikind)) + | ^ +Warning: 'la' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F:894:68: - 1291 | tag_comp2 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(2)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'sirius_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/sirius_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod atomic_kind_types.mod atom_types.mod pwdft_environment_types.mod qs_subsys_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod input_constants.mod kinds.mod mathconstants.mod qs_grid_atom.mod atom_upf.mod atom_utils.mod input_cp2k_pwdft.mod base_hooks.mod atom_kind_orbitals.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/sirius_interface.F sirius_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_atomic_block.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_atomic_block.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_post_tb.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod qs_mo_types.mod pw_poisson_types.mod xtb_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod preconditioner_types.mod qs_dftb_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod kpoint_types.mod particle_types.mod pw_types.mod cp_fm_cholesky.mod qs_dftb_utils.mod cp_log_handling.mod qs_scf_output.mod physcon.mod molden_utils.mod cp_output_handling.mod pw_methods.mod stm_images.mod machine.mod cp_fm_struct.mod qs_elf_methods.mod cp_dbcsr_operations.mod pw_env_methods.mod input_constants.mod kinds.mod population_analyses.mod qs_rho_methods.mod cp_result_methods.mod cp_fm_diag.mod cp_array_utils.mod qs_mo_methods.mod task_list_methods.mod qs_scf_wfn_mix.mod mathconstants.mod qs_pdos.mod cp_blacs_env.mod qs_collocate_density.mod memory_utilities.mod qs_ot_eigensolver.mod qs_energy_window.mod qs_dos.mod qs_mo_occupation.mod moments_utils.mod mulliken.mod base_hooks.mod cp_realspace_grid_cube.mod qs_scf_csr_write.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_tb.F qs_scf_post_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' sirius_interface.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_im_time.mod' due to: rpa_im_time.o /build/reproducible-path/cp2k-2023.1/src/rpa_im_time.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod qs_tensors_types.mod qs_environment_types.mod mp2_types.mod cell_types.mod particle_types.mod kpoint_types.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod dbt_api.mod mathconstants.mod rpa_gw_im_time_util.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod qs_tensors.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_post_tb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_optimize_ri_basis.mod' due to: mp2_optimize_ri_basis.o /build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod mp2_types.mod qs_kind_types.mod basis_set_types.mod basis_set_container_types.mod libint_wrapper.mod mp2_direct_method.mod mp2_ri_libint.mod cp_log_handling.mod machine.mod kinds.mod memory_utilities.mod util.mod cp_para_env.mod message_passing.mod orbital_pointers.mod orbital_symbols.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_grad.mod' due to: mp2_ri_grad.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_grad.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod mp2_types.mod pw_pool_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod mp2_eri.mod libint_2c_3c.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_eri_mme_interface.mod mp2_eri_gpw.mod cp_blacs_env.mod util.mod cp_para_env.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_utils.mod' due to: xas_tdp_utils.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod preconditioner_types.mod qs_environment_types.mod xas_tdp_types.mod cp_log_handling.mod physcon.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod xas_tdp_kernel.mod cp_dbcsr_diag.mod input_constants.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod cp_cfm_diag.mod cp_blacs_env.mod qs_ot_eigensolver.mod cp_fm_basic_linalg.mod cp_dbcsr_cholesky.mod parallel_gemm_api.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_types.mod' due to: qs_tddfpt2_types.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod hartree_local_types.mod qs_environment_types.mod qs_neighbor_list_types.mod ewald_pw_types.mod pw_pool_types.mod qs_kind_types.mod admm_types.mod cp_fm_pool_types.mod pw_types.mod hartree_local_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod kinds.mod qs_rho_atom_methods.mod qs_rho_methods.mod qs_rho0_methods.mod cp_blacs_env.mod cp_fm_vect.mod parallel_gemm_api.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_lri_utils.mod' due to: qs_tddfpt2_lri_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_lri_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kernel_types.mod distribution_1d_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod basis_set_container_types.mod basis_set_output.mod qs_neighbor_lists.mod qs_tddfpt2_subgroups.mod lri_ks_methods.mod cp_dbcsr_operations.mod auto_basis.mod kinds.mod lri_environment_methods.mod lri_environment_init.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod qs_interactions.mod + 894 | iset, la + | ^ +note: 'la' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_pot_saop.mod' due to: xc_pot_saop.o /build/reproducible-path/cp2k-2023.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 xc_derivative_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_fm_types.mod qs_rho_atom_types.mod cp_control_types.mod basis_set_types.mod qs_oce_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod qs_local_rho_types.mod xc_derivative_set_types.mod qs_rho_types.mod xc_rho_cflags_types.mod input_section_types.mod qs_collocate_density.mod cp_array_utils.mod xc_xbecke88.mod qs_harmonics_atom.mod cp_dbcsr_operations.mod qs_gapw_densities.mod qs_ks_atom.mod mathconstants.mod xc_derivatives.mod pw_methods.mod util.mod xc.mod qs_integrate_potential.mod kinds.mod input_constants.mod qs_rho_atom_methods.mod base_hooks.mod qs_vxc_atom.mod xc_atom.mod qs_grid_atom.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_restart.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod qs_tddfpt2_types.mod input_section_types.mod cp_fm_pool_types.mod cp_log_handling.mod cp_output_handling.mod qs_tddfpt2_subgroups.mod cp_files.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod kinds.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_restart.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_fm_types.mod qs_tddfpt2_types.mod cp_para_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod cp_files.mod string_utilities.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_tddfpt2_subgroups.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_restart.F qs_tddfpt2_restart.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_densities.mod' due to: qs_tddfpt2_densities.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_densities.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod qs_local_rho_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod pw_pool_types.mod admm_types.mod pw_types.mod qs_gapw_densities.mod qs_tddfpt2_subgroups.mod cp_dbcsr_operations.mod kinds.mod qs_rho_atom_methods.mod qs_rho_methods.mod qs_collocate_density.mod parallel_gemm_api.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_restart.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xc_pot_saop.mod' due to: xc_pot_saop.o /build/reproducible-path/cp2k-2023.1/src/xc_pot_saop.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod xc_derivative_types.mod qs_local_rho_types.mod atomic_kind_types.mod xc_derivative_set_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod xc_rho_set_types.mod xc_rho_cflags_types.mod pw_types.mod xc_atom.mod xc.mod qs_gapw_densities.mod xc_xbecke88.mod pw_methods.mod cp_dbcsr_operations.mod qs_integrate_potential.mod xc_derivatives.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod cp_array_utils.mod mathconstants.mod qs_grid_atom.mod qs_collocate_density.mod qs_harmonics_atom.mod util.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_properties.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_tddfpt2_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod physcon.mod molden_utils.mod cp_output_handling.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod cp_fm_diag.mod mathconstants.mod qs_operators_ao.mod cp_blacs_env.mod qs_collocate_density.mod qs_moments.mod cp_fm_basic_linalg.mod util.mod message_passing.mod kahan_sum.mod parallel_gemm_api.mod moments_utils.mod cp_cfm_basic_linalg.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_properties.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod qs_tddfpt2_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod bibliography.mod moments_utils.mod qs_moments.mod string_utilities.mod cp_cfm_basic_linalg.mod mathconstants.mod qs_overlap.mod util.mod molden_utils.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod qs_operators_ao.mod cp_blacs_env.mod cp_fm_diag.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F qs_tddfpt2_properties.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_epr_ownutils.mod' due to: qs_linres_epr_ownutils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_ownutils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_rho_atom_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod mathlib.mod qs_core_energies.mod kinds.mod pw_spline_utils.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod qs_linres_op.mod base_hooks.mod qs_linres_nmr_epr_common_utils.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_properties.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_nmr_shift.mod' due to: qs_linres_nmr_shift.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_nmr_shift.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod mathlib.mod kinds.mod pw_spline_utils.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod qs_linres_op.mod base_hooks.mod qs_linres_nmr_epr_common_utils.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_se_forces.mod' due to: qmmm_se_forces.o /build/reproducible-path/cp2k-2023.1/src/qmmm_se_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod qs_ks_qmmm_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qmmm_types_low.mod multipole_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod input_constants.mod kinds.mod qmmm_util.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_integrals.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_tb_methods.mod' due to: qmmm_tb_methods.o /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod xtb_types.mod pw_poisson_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod atomic_kind_types.mod qs_ks_types.mod qmmm_types_low.mod qs_dftb_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod ewald_pw_types.mod qs_kind_types.mod cell_types.mod particle_types.mod qs_dftb_utils.mod qs_dftb_matrices.mod qs_neighbor_lists.mod cp_dbcsr_operations.mod qs_overlap.mod spme.mod input_constants.mod kinds.mod qmmm_util.mod message_passing.mod mulliken.mod base_hooks.mod qs_dftb_coulomb.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_se_energy.mod' due to: qmmm_se_energy.o /build/reproducible-path/cp2k-2023.1/src/qmmm_se_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qmmm_types_low.mod qs_neighbor_list_types.mod multipole_types.mod qs_kind_types.mod semi_empirical_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod qs_neighbor_lists.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod qmmm_util.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_integrals.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_util.mod' due to: qmmmx_util.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_para_types.mod qmmm_types.mod atomic_kind_types.mod molecule_types.mod qmmmx_types.mod cp_subsys_types.mod qmmm_types_low.mod fist_neighbor_list_types.mod input_section_types.mod particle_list_types.mod cell_types.mod particle_types.mod cp_log_handling.mod kinds.mod qmmm_util.mod memory_utilities.mod qmmm_ff_fist.mod fist_neighbor_lists.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_4x6.mod' due to: constraint_4x6.o /build/reproducible-path/cp2k-2023.1/src/constraint_4x6.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod linear_systems.mod constraint_fxd.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_3x3.mod' due to: constraint_3x3.o /build/reproducible-path/cp2k-2023.1/src/constraint_3x3.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod linear_systems.mod constraint_fxd.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gopt_f_types.mod' due to: gopt_f_types.o /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod global_types.mod gopt_param_types.mod input_section_types.mod cell_opt_types.mod force_env_types.mod cp_subsys_types.mod dimer_types.mod particle_list_types.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_utils.mod' due to: rt_propagation_utils.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod rt_propagation_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod qs_dftb_matrices.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod qs_rho_methods.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_density_matrices.mod cp_fm_vect.mod orbital_pointers.mod qs_mo_io.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_environment_types.mod' due to: mc_environment_types.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_misc.mod' due to: mc_misc.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod mathconstants.mod physcon.mod kinds.mod base_hooks.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_move_control.mod' due to: mc_move_control.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mc_types.mod mathconstants.mod physcon.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_restart.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod qs_mo_types.mod preconditioner_types.mod cp_para_types.mod xas_tdp_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod xas_tdp_kernel.mod qs_ot_eigensolver.mod cp_dbcsr_cholesky.mod mathlib.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_diag.mod cp_blacs_env.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_utils.F xas_tdp_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_properties.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:39 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_tb_methods.mod' due to: qmmm_tb_methods.o /build/reproducible-path/cp2k-2023.1/src/qmmm_tb_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod ewald_pw_types.mod qs_kind_types.mod qs_ks_qmmm_types.mod qs_dftb_types.mod xtb_types.mod qmmm_types_low.mod cp_para_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod qs_rho_types.mod ewald_environment_types.mod input_section_types.mod mulliken.mod cp_dbcsr_operations.mod spme.mod qs_overlap.mod qs_dftb_utils.mod qs_dftb_matrices.mod message_passing.mod qmmm_util.mod kinds.mod input_constants.mod qs_neighbor_lists.mod base_hooks.mod qs_dftb_coulomb.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom.mod' due to: atom.o /build/reproducible-path/cp2k-2023.1/src/atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod atom_basis.mod header.mod atom_energy.mod cp_log_handling.mod periodic_table.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod atom_pseudo.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_4x6.mod' due to: constraint_4x6.o /build/reproducible-path/cp2k-2023.1/src/constraint_4x6.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod base_hooks.mod constraint_fxd.mod kinds.mod linear_systems.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hirshfeld_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod qs_rho_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod pw_pool_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod ao_util.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod cp_result_methods.mod mathconstants.mod grid_api.mod message_passing.mod base_hooks.mod atom_kind_orbitals.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hirshfeld_methods.F hirshfeld_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_atomic_block.mod' due to: qs_atomic_block.o /build/reproducible-path/cp2k-2023.1/src/qs_atomic_block.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod particle_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod atom_kind_orbitals.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_3x3.mod' due to: constraint_3x3.o /build/reproducible-path/cp2k-2023.1/src/constraint_3x3.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod base_hooks.mod constraint_fxd.mod kinds.mod linear_systems.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hirshfeld_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'sirius_interface.mod' due to: sirius_interface.o /build/reproducible-path/cp2k-2023.1/src/sirius_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod atomic_kind_types.mod atom_types.mod pwdft_environment_types.mod qs_subsys_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod input_constants.mod kinds.mod mathconstants.mod qs_grid_atom.mod atom_upf.mod atom_utils.mod input_cp2k_pwdft.mod base_hooks.mod atom_kind_orbitals.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_utils.mod' due to: rt_propagation_utils.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod pw_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod rt_propagation_types.mod input_section_types.mod qs_collocate_density.mod qs_rho_methods.mod cp_dbcsr_operations.mod memory_utilities.mod mathconstants.mod qs_overlap.mod qs_dftb_matrices.mod pw_methods.mod cp_fm_vect.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod qs_mo_io.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod qs_density_matrices.mod cp_blacs_env.mod true /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_restart.F:334:69: @@ -61031,28 +61008,8 @@ Warning: 'evects_mo.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_restart.F:334:69: Warning: 'evects_mo.data' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_restart.F:334:69: Warning: 'evects_mo.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_stda_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod virial_types.mod atprop_types.mod ewald_environment_types.mod cp_para_types.mod cp_control_types.mod atomic_kind_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod qs_tddfpt2_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod ewald_pw_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod particle_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod kinds.mod cp_fm_diag.mod mathconstants.mod util.mod cp_fm_basic_linalg.mod message_passing.mod ewald_methods_tb.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gpw_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_gaussian_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod pw_env_types.mod qmmm_types_low.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod cp_spline_utils.mod cp_log_handling.mod qmmm_se_energy.mod cp_output_handling.mod pw_methods.mod cube_utils.mod input_constants.mod kinds.mod qmmm_util.mod mm_collocate_potential.mod qmmm_tb_methods.mod message_passing.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cg_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod gopt_param_types.mod gopt_f_types.mod dimer_types.mod mathconstants.mod input_constants.mod kinds.mod memory_utilities.mod base_hooks.mod cp_external_control.mod dimer_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cg_utils.F cg_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gpw_energy.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'space_groups.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/space_groups.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod gopt_f_types.mod cp_subsys_types.mod particle_list_types.mod mathlib.mod string_utilities.mod bibliography.mod input_constants.mod physcon.mod spglib_f08.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/space_groups.F space_groups.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cg_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' space_groups.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F:1180:28: - - 1180 | SUBROUTINE project_vector(vin, vout, mos_occ, matrix_s) - | ^ -Warning: 'project_vector' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F:1229:25: - - 1229 | SUBROUTINE vec_product(va, vb, res) - | ^ -Warning: 'vec_product' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gopt_f_types.mod' due to: gopt_f_types.o /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod gopt_param_types.mod cell_opt_types.mod space_groups_types.mod particle_list_types.mod global_types.mod dimer_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod +true /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_utils.F:318:38: 318 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. @@ -61063,28 +61020,84 @@ 247 | last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, & | ^ note: 'nmolecule' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod cp_fm_pool_types.mod particle_types.mod pw_types.mod cp_log_handling.mod qs_localization_methods.mod physcon.mod cp_output_handling.mod particle_methods.mod machine.mod qs_loc_utils.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod kinds.mod qs_mo_methods.mod motion_utils.mod mathconstants.mod qs_collocate_density.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_moments.mod qs_atomic_block.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod qs_matrix_pools.mod cp_dbcsr_cp2k_link.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F qs_loc_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_restart.mod' due to: qs_tddfpt2_restart.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod qs_tddfpt2_types.mod input_section_types.mod cp_fm_pool_types.mod cp_log_handling.mod cp_output_handling.mod qs_tddfpt2_subgroups.mod cp_files.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod kinds.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_md_utils.mod' due to: neb_md_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_md_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod global_types.mod neb_types.mod input_section_types.mod base_hooks.mod cp_units.mod kinds.mod input_constants.mod physcon.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermostat_utils.mod' due to: thermostat_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_para_types.mod qmmm_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod shell_potential_types.mod input_section_types.mod extended_system_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod cp_units.mod input_constants.mod kinds.mod motion_utils.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'atom.o' due to: /build/reproducible-path/cp2k-2023.1/src/atom.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod atom_energy.mod atom_pseudo.mod periodic_table.mod cp_log_handling.mod kinds.mod atom_basis.mod input_constants.mod header.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/atom.F atom.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_environment_types.mod' due to: mc_environment_types.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'extended_system_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cell_types.mod input_section_types.mod simpar_types.mod molecule_types.mod extended_system_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod extended_system_mapping.mod input_cp2k_binary_restarts.mod input_constants.mod kinds.mod base_hooks.mod thermostat_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 -/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F:426:43: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' atom.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_move_control.mod' due to: mc_move_control.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_move_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mc_types.mod base_hooks.mod mathconstants.mod kinds.mod physcon.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_misc.mod' due to: mc_misc.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_misc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod base_hooks.mod mathconstants.mod kinds.mod physcon.mod cp_files.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_ml.mod' due to: pao_ml.o /build/reproducible-path/cp2k-2023.1/src/pao_ml.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod pao_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod qs_environment_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod pao_ml_neuralnet.mod message_passing.mod pao_ml_gaussprocess.mod pao_ml_descriptor.mod machine.mod pao_io.mod kinds.mod pao_input.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_atomic_block.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_atomic_block.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod atom_kind_orbitals.mod message_passing.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_atomic_block.F qs_atomic_block.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_output.mod' due to: qs_scf_output.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_cdft_opt_types.mod cp_control_types.mod qs_energy_types.mod ps_implicit_types.mod qs_kind_types.mod qs_mo_types.mod qs_charges_types.mod preconditioner_types.mod admm_types.mod qs_scf_types.mod qs_cdft_types.mod cp_para_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod cp_units.mod qs_ot_eigensolver.mod qmmm_image_charge.mod cp_log_handling.mod kahan_sum.mod qs_mo_methods.mod kinds.mod qs_sccs.mod input_constants.mod physcon.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod cp_fm_struct.mod machine.mod admm_utils.mod cp_blacs_env.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_atomic_block.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_atomic_block.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hirshfeld_methods.mod' due to: hirshfeld_methods.o /build/reproducible-path/cp2k-2023.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod cp_result_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod cp_result_methods.mod cp_units.mod mathconstants.mod pw_methods.mod grid_api.mod atom_kind_orbitals.mod message_passing.mod kinds.mod input_constants.mod base_hooks.mod periodic_table.mod ao_util.mod +true +/build/reproducible-path/cp2k-2023.1/src/qs_pdos.F:893:21: - 426 | CALL copy_dbcsr_to_fm(sm_s, fm_work1) - | ^ -Warning: 'sm_s' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F:345:70: + 893 | IF (.NOT. read_r(3, ildos)) THEN + | ^ +Warning: 'read_r.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_pdos.F:176:66: - 345 | TYPE(dbcsr_type), POINTER :: sm_h, sm_s - | ^ -note: 'sm_s' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'al_system_dynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod extended_system_types.mod particle_types.mod force_env_types.mod al_system_types.mod distribution_1d_types.mod molecule_kind_types.mod message_passing.mod constraint_fxd.mod kinds.mod base_hooks.mod thermostat_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' extended_system_init.F90 + 176 | LOGICAL, DIMENSION(:, :), POINTER :: read_r + | ^ +note: 'read_r.data' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_pdos.F:668:95: + + 668 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol + | ^ +Warning: 'dvol' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_pdos.F:177:74: + + 177 | REAL(KIND=dp) :: dh(3, 3), dvol, e_fermi, r(3), r_vec(3), & + | ^ +note: 'dvol' was declared here +/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F:1180:28: + + 1180 | SUBROUTINE project_vector(vin, vout, mos_occ, matrix_s) + | ^ +Warning: 'project_vector' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F:1229:25: + + 1229 | SUBROUTINE vec_product(va, vb, res) + | ^ +Warning: 'vec_product' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_current.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_linres_types.mod realspace_grid_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod qs_mo_types.mod input_section_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod cp_fm_types.mod qs_matrix_pools.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod cube_utils.mod cp_dbcsr_operations.mod memory_utilities.mod task_list_methods.mod rs_pw_interface.mod mathconstants.mod pw_methods.mod gaussian_gridlevels.mod grid_api.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod qs_linres_op.mod cp_fm_struct.mod cp_realspace_grid_cube.mod particle_methods.mod qs_operators_ao.mod qs_linres_atom_current.mod ao_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F qs_linres_current.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'sirius_interface.mod' due to: sirius_interface.o /build/reproducible-path/cp2k-2023.1/src/sirius_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod atomic_kind_types.mod qs_kind_types.mod external_potential_types.mod cp_para_types.mod pwdft_environment_types.mod atom_types.mod particle_types.mod cell_types.mod input_section_types.mod input_cp2k_pwdft.mod atom_utils.mod atom_upf.mod mathconstants.mod atom_kind_orbitals.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_grid_atom.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_current.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_im_time.mod' due to: rpa_im_time.o /build/reproducible-path/cp2k-2023.1/src/rpa_im_time.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod mp2_types.mod hfx_types.mod qs_mo_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_tensors_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod mathconstants.mod qs_tensors.mod dbt_api.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod machine.mod rpa_gw_im_time_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_stda_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod ewald_pw_types.mod qs_kind_types.mod qs_tddfpt2_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod scf_control_types.mod atprop_types.mod ewald_environment_types.mod input_section_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod mathconstants.mod util.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod iterate_matrix.mod qs_tddfpt2_subgroups.mod base_hooks.mod ewald_methods_tb.mod cp_fm_struct.mod particle_methods.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_restart.mod' due to: qs_tddfpt2_restart.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_restart.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_fm_types.mod qs_tddfpt2_types.mod cp_para_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod cp_files.mod string_utilities.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_tddfpt2_subgroups.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_cdft_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod input_section_types.mod qs_cdft_types.mod mixed_environment_types.mod cp_subsys_types.mod pw_pool_types.mod mixed_cdft_types.mod particle_types.mod cell_types.mod particle_list_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_array_utils.mod cp_dbcsr_operations.mod memory_utilities.mod mixed_cdft_utils.mod cp_units.mod pw_methods.mod mathlib.mod grid_api.mod util.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_dbcsr_diag.mod machine.mod ao_util.mod hirshfeld_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gpw_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_environment_types.mod cp_control_types.mod pw_types.mod qs_ks_qmmm_types.mod cp_para_types.mod qmmm_types_low.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod qmmm_gaussian_types.mod input_section_types.mod cube_utils.mod cp_spline_utils.mod pw_methods.mod message_passing.mod mm_collocate_potential.mod cp_log_handling.mod qmmm_util.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod qmmm_se_energy.mod cp_realspace_grid_cube.mod qmmm_tb_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_cdft_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cg_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 gopt_param_types.mod gopt_f_types.mod global_types.mod dimer_types.mod base_hooks.mod dimer_utils.mod mathconstants.mod kinds.mod cp_external_control.mod input_constants.mod memory_utilities.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cg_utils.F cg_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'space_groups.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/space_groups.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod space_groups_types.mod atomic_kind_types.mod cell_types.mod gopt_f_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod string_utilities.mod spglib_f08.mod kinds.mod input_constants.mod physcon.mod bibliography.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/space_groups.F space_groups.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gpw_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cg_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'atom.mod' due to: atom.o /build/reproducible-path/cp2k-2023.1/src/atom.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod atom_energy.mod atom_pseudo.mod periodic_table.mod cp_log_handling.mod kinds.mod atom_basis.mod input_constants.mod header.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' space_groups.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermostat_utils.mod' due to: thermostat_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod molecule_list_types.mod shell_potential_types.mod extended_system_types.mod distribution_1d_types.mod simpar_types.mod thermostat_types.mod molecule_kind_types.mod cp_para_types.mod qmmm_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod cp_units.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod motion_utils.mod machine.mod +true /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F:726:76: 726 | nmo_virt_occ_alpha = INT(nmo_virt(1), int_8)*INT(nmo_occ(1), int_8) @@ -61120,25 +61133,32 @@ 686 | INTEGER(kind=int_8) :: iexc, imo_occ, imo_virt, ind, nexcs, & | ^ note: 'nexcs' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' al_system_dynamics.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gle_system_dynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod gle_system_types.mod molecule_types.mod parallel_rng_types.mod extended_system_types.mod particle_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod base_hooks.mod thermostat_mapping.mod thermostat_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gle_system_dynamics.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'extended_system_dynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod atomic_kind_types.mod molecule_types.mod extended_system_types.mod particle_types.mod distribution_1d_types.mod molecule_kind_types.mod message_passing.mod kinds.mod base_hooks.mod thermostat_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' extended_system_dynamics.F90 -/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F:291:46: +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_atomic_block.mod' due to: qs_atomic_block.o /build/reproducible-path/cp2k-2023.1/src/qs_atomic_block.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod qs_kind_types.mod cp_para_types.mod base_hooks.mod atom_kind_orbitals.mod message_passing.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xtb_matrices.mod' due to: xtb_matrices.o /build/reproducible-path/cp2k-2023.1/src/xtb_matrices.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_dispersion_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod block_p_types.mod pair_potential_types.mod qs_kind_types.mod qs_mo_types.mod virial_types.mod qs_scf_types.mod xtb_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod input_section_types.mod xtb_parameters.mod mulliken.mod cp_dbcsr_cp2k_link.mod ai_contraction.mod virial_methods.mod cp_dbcsr_operations.mod string_utilities.mod qs_overlap.mod message_passing.mod efield_tb_methods.mod pair_potential_util.mod cp_log_handling.mod pair_potential.mod qs_dispersion_pairpot.mod kinds.mod fparser.mod orbital_pointers.mod qs_condnum.mod cp_output_handling.mod base_hooks.mod ai_overlap.mod cp_dbcsr_output.mod qs_charge_mixing.mod cp_blacs_env.mod xtb_coulomb.mod qs_integral_utils.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod qs_matrix_pools.mod qs_loc_utils.mod cp_dbcsr_cp2k_link.mod qs_localization_methods.mod cp_dbcsr_operations.mod memory_utilities.mod qs_moments.mod string_utilities.mod cp_units.mod mathconstants.mod qs_atomic_block.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod motion_utils.mod cp_fm_struct.mod cp_realspace_grid_cube.mod particle_methods.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F qs_loc_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod outer_scf_control_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod bibliography.mod memory_utilities.mod cp_units.mod grid_api.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod cp_realspace_grid_cube.mod ao_util.mod hirshfeld_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_cdft_utils.F qs_cdft_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F:426:43: - 291 | map_info%v_scale(imap) = 1.0_dp - | ^ -Warning: 'imap' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F:274:67: + 426 | CALL copy_dbcsr_to_fm(sm_s, fm_work1) + | ^ +Warning: 'sm_s' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F:345:70: - 274 | INTEGER :: i, imap - | ^ -note: 'imap' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_dynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod parallel_rng_types.mod extended_system_types.mod particle_types.mod csvr_system_types.mod distribution_1d_types.mod molecule_kind_types.mod message_passing.mod kinds.mod base_hooks.mod csvr_system_utils.mod thermostat_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 + 345 | TYPE(dbcsr_type), POINTER :: sm_h, sm_s + | ^ +note: 'sm_s' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:42 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'minbas_wfn_analysis.mod' due to: minbas_wfn_analysis.o /build/reproducible-path/cp2k-2023.1/src/minbas_wfn_analysis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod mulliken.mod cp_dbcsr_operations.mod bibliography.mod molden_utils.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod iterate_matrix.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod minbas_methods.mod particle_methods.mod atomic_charges.mod cp_blacs_env.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_optimize_ri_basis.mod' due to: mp2_optimize_ri_basis.o /build/reproducible-path/cp2k-2023.1/src/mp2_optimize_ri_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod mp2_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod basis_set_container_types.mod mp2_ri_libint.mod memory_utilities.mod libint_wrapper.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod orbital_pointers.mod base_hooks.mod mp2_direct_method.mod orbital_symbols.mod cp_para_env.mod machine.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'extended_system_dynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod shell_potential_types.mod extended_system_types.mod distribution_1d_types.mod base_hooks.mod message_passing.mod thermostat_utils.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 /build/reproducible-path/cp2k-2023.1/src/motion/cg_utils.F:811:19: 811 | IF (ABS(d) .GT. ABS(0.5_dp*olde)) skip0 = .TRUE. @@ -61149,15 +61169,9 @@ 761 | REAL(KIND=dp) :: a, b, d, d1, d2, du, dv, dw, dx, e, fu, & | ^ note: 'e' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hirshfeld_methods.mod' due to: hirshfeld_methods.o /build/reproducible-path/cp2k-2023.1/src/hirshfeld_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod qs_rho_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod pw_pool_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod pw_methods.mod ao_util.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod cp_result_methods.mod mathconstants.mod grid_api.mod message_passing.mod base_hooks.mod atom_kind_orbitals.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_stda_utils.mod' due to: qs_tddfpt2_stda_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod virial_types.mod atprop_types.mod ewald_environment_types.mod cp_para_types.mod cp_control_types.mod atomic_kind_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod qs_tddfpt2_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod ewald_pw_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod particle_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod kinds.mod cp_fm_diag.mod mathconstants.mod util.mod cp_fm_basic_linalg.mod message_passing.mod ewald_methods_tb.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_dynamics.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gpw_energy.mod' due to: qmmm_gpw_energy.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_gaussian_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod pw_env_types.mod qmmm_types_low.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod cp_spline_utils.mod cp_log_handling.mod qmmm_se_energy.mod cp_output_handling.mod pw_methods.mod cube_utils.mod input_constants.mod kinds.mod qmmm_util.mod mm_collocate_potential.mod qmmm_tb_methods.mod message_passing.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_cdft_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_cdft_types.mod hirshfeld_types.mod qs_energy_types.mod qs_mo_types.mod cp_control_types.mod atomic_kind_types.mod mixed_environment_types.mod pw_env_types.mod cp_fm_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod qs_cdft_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod hirshfeld_methods.mod mixed_cdft_utils.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod machine.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod ao_util.mod cp_units.mod cp_dbcsr_diag.mod input_constants.mod kinds.mod cp_array_utils.mod qs_mo_methods.mod memory_utilities.mod cp_fm_basic_linalg.mod util.mod grid_api.mod message_passing.mod parallel_gemm_api.mod qs_mo_io.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' extended_system_dynamics.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gle_system_dynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod parallel_rng_types.mod gle_system_types.mod particle_types.mod simpar_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod thermostat_types.mod base_hooks.mod message_passing.mod thermostat_mapping.mod thermostat_utils.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 /build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:5517:24: 5517 | colvar%ss = cv_val @@ -61168,64 +61182,23 @@ 5438 | REAL(kind=dp) :: cv_val, f1, ftmp(3) | ^ note: 'cv_val' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'space_groups.mod' due to: space_groups.o /build/reproducible-path/cp2k-2023.1/src/motion/space_groups.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod gopt_f_types.mod cp_subsys_types.mod particle_list_types.mod mathlib.mod string_utilities.mod bibliography.mod input_constants.mod physcon.mod spglib_f08.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'al_system_dynamics.mod' due to: al_system_dynamics.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod extended_system_types.mod particle_types.mod force_env_types.mod al_system_types.mod distribution_1d_types.mod molecule_kind_types.mod message_passing.mod constraint_fxd.mod kinds.mod base_hooks.mod thermostat_utils.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_cdft_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'extended_system_dynamics.mod' due to: extended_system_dynamics.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 shell_potential_types.mod atomic_kind_types.mod molecule_types.mod extended_system_types.mod particle_types.mod distribution_1d_types.mod molecule_kind_types.mod message_passing.mod kinds.mod base_hooks.mod thermostat_utils.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_lbfgs.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod bibliography.mod space_groups.mod kinds.mod base_hooks.mod cp_files.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_lbfgs.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'extended_system_init.mod' due to: extended_system_init.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cell_types.mod input_section_types.mod simpar_types.mod molecule_types.mod extended_system_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod extended_system_mapping.mod input_cp2k_binary_restarts.mod input_constants.mod kinds.mod base_hooks.mod thermostat_utils.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod qs_cdft_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod outer_scf_control_types.mod hirshfeld_methods.mod bibliography.mod cp_log_handling.mod qs_scf_output.mod cp_output_handling.mod ao_util.mod cp_units.mod input_constants.mod kinds.mod memory_utilities.mod grid_api.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_cdft_utils.F qs_cdft_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_properties.mod' due to: qs_tddfpt2_properties.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_tddfpt2_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod physcon.mod molden_utils.mod cp_output_handling.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod qs_overlap.mod input_constants.mod kinds.mod cp_fm_diag.mod mathconstants.mod qs_operators_ao.mod cp_blacs_env.mod qs_collocate_density.mod qs_moments.mod cp_fm_basic_linalg.mod util.mod message_passing.mod kahan_sum.mod parallel_gemm_api.mod moments_utils.mod cp_cfm_basic_linalg.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gpw_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qmmm_gaussian_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod pw_env_types.mod qmmm_types_low.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod cell_types.mod particle_types.mod pw_types.mod cp_spline_utils.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cube_utils.mod qmmm_se_forces.mod input_constants.mod kinds.mod qmmm_util.mod mm_collocate_potential.mod qmmm_tb_methods.mod message_passing.mod qmmm_gpw_energy.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cg_utils.mod' due to: cg_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod gopt_param_types.mod gopt_f_types.mod dimer_types.mod mathconstants.mod input_constants.mod kinds.mod memory_utilities.mod base_hooks.mod cp_external_control.mod dimer_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gle_system_dynamics.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'csvr_system_dynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod extended_system_types.mod csvr_system_types.mod distribution_1d_types.mod parallel_rng_types.mod base_hooks.mod csvr_system_utils.mod message_passing.mod thermostat_utils.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'al_system_dynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod al_system_types.mod extended_system_types.mod distribution_1d_types.mod base_hooks.mod constraint_fxd.mod message_passing.mod thermostat_utils.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' csvr_system_dynamics.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'extended_system_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_types.mod molecule_types.mod cell_types.mod simpar_types.mod global_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod thermostat_types.mod base_hooks.mod input_cp2k_binary_restarts.mod thermostat_utils.mod kinds.mod input_constants.mod extended_system_mapping.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' al_system_dynamics.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_pdos.mod' due to: qs_pdos.o /build/reproducible-path/cp2k-2023.1/src/qs_pdos.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod basis_set_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod preconditioner_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod memory_utilities.mod qs_ot_eigensolver.mod message_passing.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod orbital_symbols.mod cp_blacs_env.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F:808:42: - - 808 | IF (my_guess_atomic .OR. my_guess_wan) THEN - | ^ -Warning: 'my_guess_wan' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F:668:72: - - 668 | my_guess_wan - | ^ -note: 'my_guess_wan' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gle_system_dynamics.mod' due to: gle_system_dynamics.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod gle_system_types.mod molecule_types.mod parallel_rng_types.mod extended_system_types.mod particle_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod message_passing.mod input_constants.mod kinds.mod base_hooks.mod thermostat_mapping.mod thermostat_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' extended_system_init.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_stda_utils.mod' due to: qs_tddfpt2_stda_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_stda_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod ewald_pw_types.mod qs_kind_types.mod qs_tddfpt2_types.mod virial_types.mod cp_para_types.mod particle_types.mod cell_types.mod scf_control_types.mod atprop_types.mod ewald_environment_types.mod input_section_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod mathconstants.mod util.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod iterate_matrix.mod qs_tddfpt2_subgroups.mod base_hooks.mod ewald_methods_tb.mod cp_fm_struct.mod particle_methods.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_dynamics.mod' due to: csvr_system_dynamics.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod molecule_types.mod parallel_rng_types.mod extended_system_types.mod particle_types.mod csvr_system_types.mod distribution_1d_types.mod molecule_kind_types.mod message_passing.mod kinds.mod base_hooks.mod csvr_system_utils.mod thermostat_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_properties.mod' due to: qs_tddfpt2_properties.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_properties.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod qs_tddfpt2_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_dbcsr_operations.mod bibliography.mod moments_utils.mod qs_moments.mod string_utilities.mod cp_cfm_basic_linalg.mod mathconstants.mod qs_overlap.mod util.mod molden_utils.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod qs_operators_ao.mod cp_blacs_env.mod cp_fm_diag.mod true -/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:2938:10: - - 2938 | e, ftmp(3), o0, rcb, rt2, rtmp(3), rtru, ru2, sine, ss(3), xba, xca, xcb, xdb, xdc, xt, & - | ^ -Warning: 'e' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gpw_forces.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'barostat_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cell_types.mod input_section_types.mod simpar_types.mod extended_system_types.mod force_env_types.mod extended_system_init.mod input_constants.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_types.F barostat_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermostat_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod global_types.mod cp_para_types.mod qmmm_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod cp_subsys_types.mod molecule_kind_list_types.mod input_section_types.mod extended_system_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod al_system_dynamics.mod cp_units.mod gle_system_dynamics.mod input_constants.mod kinds.mod thermostat_utils.mod extended_system_init.mod csvr_system_init.mod al_system_init.mod message_passing.mod extended_system_dynamics.mod csvr_system_dynamics.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' barostat_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermostat_methods.F90 -/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:2037:19: - - 2037 | colvar%ss = r - | ^ -Warning: 'r' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:1954:68: - - 1954 | REAL(dp) :: fi(3), r, r0(3), ss(3), xi(3), xpi(3) - | ^ -note: 'r' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_post_tb.mod' due to: qs_scf_post_tb.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod qs_mo_types.mod pw_poisson_types.mod xtb_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod preconditioner_types.mod qs_dftb_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod kpoint_types.mod particle_types.mod pw_types.mod cp_fm_cholesky.mod qs_dftb_utils.mod cp_log_handling.mod qs_scf_output.mod physcon.mod molden_utils.mod cp_output_handling.mod pw_methods.mod stm_images.mod machine.mod cp_fm_struct.mod qs_elf_methods.mod cp_dbcsr_operations.mod pw_env_methods.mod input_constants.mod kinds.mod population_analyses.mod qs_rho_methods.mod cp_result_methods.mod cp_fm_diag.mod cp_array_utils.mod qs_mo_methods.mod task_list_methods.mod qs_scf_wfn_mix.mod mathconstants.mod qs_pdos.mod cp_blacs_env.mod qs_collocate_density.mod memory_utilities.mod qs_ot_eigensolver.mod qs_energy_window.mod qs_dos.mod qs_mo_occupation.mod moments_utils.mod mulliken.mod base_hooks.mod cp_realspace_grid_cube.mod qs_scf_csr_write.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gpw_energy.mod' due to: qmmm_gpw_energy.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_environment_types.mod cp_control_types.mod pw_types.mod qs_ks_qmmm_types.mod cp_para_types.mod qmmm_types_low.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod qmmm_gaussian_types.mod input_section_types.mod cube_utils.mod cp_spline_utils.mod pw_methods.mod message_passing.mod mm_collocate_potential.mod cp_log_handling.mod qmmm_util.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod qmmm_se_energy.mod cp_realspace_grid_cube.mod qmmm_tb_methods.mod true /build/reproducible-path/cp2k-2023.1/src/qs_cdft_utils.F:967:37: @@ -61257,36 +61230,82 @@ 915 | INTEGER :: i1, i2, i3, lb, n1, n2, n3, nzeroed, & | ^ note: 'nzeroed' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'barostat_types.mod' due to: barostat_types.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cell_types.mod input_section_types.mod simpar_types.mod extended_system_types.mod force_env_types.mod extended_system_init.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'extended_system_dynamics.mod' due to: extended_system_dynamics.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_dynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod shell_potential_types.mod extended_system_types.mod distribution_1d_types.mod base_hooks.mod message_passing.mod thermostat_utils.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:2938:10: + + 2938 | e, ftmp(3), o0, rcb, rt2, rtmp(3), rtru, ru2, sine, ss(3), xba, xca, xcb, xdb, xdc, xt, & + | ^ +Warning: 'e' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cg_utils.mod' due to: cg_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/cg_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 gopt_param_types.mod gopt_f_types.mod global_types.mod dimer_types.mod base_hooks.mod dimer_utils.mod mathconstants.mod kinds.mod cp_external_control.mod input_constants.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_methods.mod' due to: qs_loc_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod cell_types.mod cp_fm_pool_types.mod particle_types.mod pw_types.mod cp_log_handling.mod qs_localization_methods.mod physcon.mod cp_output_handling.mod particle_methods.mod machine.mod qs_loc_utils.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod kinds.mod qs_mo_methods.mod motion_utils.mod mathconstants.mod qs_collocate_density.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_moments.mod qs_atomic_block.mod message_passing.mod orbital_pointers.mod parallel_gemm_api.mod qs_matrix_pools.mod cp_dbcsr_cp2k_link.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'space_groups.mod' due to: space_groups.o /build/reproducible-path/cp2k-2023.1/src/motion/space_groups.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod space_groups_types.mod atomic_kind_types.mod cell_types.mod gopt_f_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod string_utilities.mod spglib_f08.mod kinds.mod input_constants.mod physcon.mod bibliography.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'barostat_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 barostat_types.mod cell_types.mod simpar_types.mod extended_system_types.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F:1285:62: +/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F:291:46: - 1285 | tu, wmc, wmp, wmw, zibp - | ^ -Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F:1370:38: + 291 | map_info%v_scale(imap) = 1.0_dp + | ^ +Warning: 'imap' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F:274:67: - 1370 | t(nbreak) = tl/(-neggi) - | ^ -Warning: 'tl' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F:1284:90: + 274 | INTEGER :: i, imap + | ^ +note: 'imap' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_post_tb.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod task_list_types.mod cp_result_types.mod preconditioner_types.mod qs_scf_types.mod qs_dftb_types.mod xtb_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod pw_grid_types.mod scf_control_types.mod input_section_types.mod qs_collocate_density.mod qs_rho_methods.mod cp_fm_cholesky.mod cp_array_utils.mod mulliken.mod qs_dos.mod cp_dbcsr_operations.mod moments_utils.mod cp_result_methods.mod memory_utilities.mod task_list_methods.mod qs_energy_window.mod mathconstants.mod qs_dftb_utils.mod qs_ot_eigensolver.mod pw_methods.mod stm_images.mod pw_env_methods.mod qs_elf_methods.mod molden_utils.mod qs_scf_csr_write.mod population_analyses.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod physcon.mod qs_mo_occupation.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod qs_scf_wfn_mix.mod cp_fm_struct.mod cp_realspace_grid_cube.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod qs_pdos.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_tb.F qs_scf_post_tb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_gpw_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod qs_ks_qmmm_types.mod cp_para_types.mod qmmm_types_low.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod qmmm_gaussian_types.mod input_section_types.mod cube_utils.mod qmmm_gpw_energy.mod cp_spline_utils.mod pw_methods.mod message_passing.mod mm_collocate_potential.mod cp_log_handling.mod qmmm_util.mod kinds.mod input_constants.mod cp_output_handling.mod qmmm_se_forces.mod base_hooks.mod qmmm_tb_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gle_system_dynamics.mod' due to: gle_system_dynamics.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/gle_system_dynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod parallel_rng_types.mod gle_system_types.mod particle_types.mod simpar_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod thermostat_types.mod base_hooks.mod message_passing.mod thermostat_mapping.mod thermostat_utils.mod kinds.mod input_constants.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_post_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_gpw_forces.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'csvr_system_dynamics.mod' due to: csvr_system_dynamics.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/csvr_system_dynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod extended_system_types.mod csvr_system_types.mod distribution_1d_types.mod parallel_rng_types.mod base_hooks.mod csvr_system_utils.mod message_passing.mod thermostat_utils.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F:1290:37: - 1284 | f2, f2_org, neggi, tj, tj0, tl, tsum, & - | ^ -note: 'tl' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_barostats.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 barostat_types.mod input_keyword_types.mod input_val_types.mod input_section_types.mod string_utilities.mod cp_units.mod kinds.mod input_cp2k_thermostats.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' barostat_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_barostats.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_ri.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_ri.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod hfx_types.mod qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod qs_integral_utils.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod machine.mod qs_loc_utils.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod cp_dbcsr_diag.mod input_constants.mod input_cp2k_hfx.mod kinds.mod dbt_api.mod cp_array_utils.mod cp_blacs_env.mod util.mod message_passing.mod qs_loc_methods.mod cp_dbcsr_cholesky.mod arnoldi_api.mod qs_tensors.mod qs_interactions.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_ri.F hfx_ri.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_states.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_states.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod input_section_types.mod wannier_states_types.mod particle_list_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod kinds.mod cp_array_utils.mod wannier_states.mod molecular_dipoles.mod qs_loc_molecules.mod molecular_states.mod molecular_moments.mod qs_loc_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_states.F qs_loc_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_ri.F90 + 1290 | END FUNCTION encode_ardbmdarb_func + | ^ +Warning: 'func' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F:1263:56: + + 1263 | FUNCTION encode_ardbmdarb_func(idir, ir) RESULT(func) + | ^ +note: 'func' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'al_system_dynamics.mod' due to: al_system_dynamics.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/al_system_dynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod molecule_types.mod molecule_kind_types.mod particle_types.mod atomic_kind_types.mod al_system_types.mod extended_system_types.mod distribution_1d_types.mod base_hooks.mod constraint_fxd.mod message_passing.mod thermostat_utils.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:2037:19: + + 2037 | colvar%ss = r + | ^ +Warning: 'r' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/colvar_methods.F:1954:68: + + 1954 | REAL(dp) :: fi(3), r, r0(3), ss(3), xi(3), xpi(3) + | ^ +note: 'r' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_lbfgs.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod base_hooks.mod machine.mod space_groups.mod kinds.mod bibliography.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_lbfgs.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'extended_system_init.mod' due to: extended_system_init.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/extended_system_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod molecule_kind_types.mod molecule_types.mod cell_types.mod simpar_types.mod global_types.mod extended_system_types.mod distribution_1d_types.mod cp_para_types.mod thermostat_types.mod base_hooks.mod input_cp2k_binary_restarts.mod thermostat_utils.mod kinds.mod input_constants.mod extended_system_mapping.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'barostat_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod input_section_types.mod cell_types.mod simpar_types.mod global_types.mod extended_system_types.mod base_hooks.mod kinds.mod input_constants.mod extended_system_init.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_types.F barostat_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'thermostat_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod extended_system_types.mod distribution_1d_types.mod simpar_types.mod thermostat_types.mod atomic_kind_list_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod al_system_init.mod extended_system_dynamics.mod bibliography.mod extended_system_init.mod cp_units.mod gle_system_dynamics.mod message_passing.mod thermostat_utils.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod csvr_system_dynamics.mod al_system_dynamics.mod csvr_system_init.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' barostat_types.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F:808:42: + + 808 | IF (my_guess_atomic .OR. my_guess_wan) THEN + | ^ +Warning: 'my_guess_wan' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F:668:72: + + 668 | my_guess_wan + | ^ +note: 'my_guess_wan' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:46 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' thermostat_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_utils.mod' due to: qs_cdft_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod outer_scf_control_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod bibliography.mod memory_utilities.mod cp_units.mod grid_api.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod cp_realspace_grid_cube.mod ao_util.mod hirshfeld_methods.mod +true /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_forces.F:493:36: 493 | tmp = rho%cr3d(lb(1), :, :) @@ -61307,8 +61326,6 @@ 433 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: tmp | ^ note: 'tmp' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'barostat_utils.mod' due to: barostat_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 barostat_types.mod cell_types.mod simpar_types.mod extended_system_types.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod cp_output_handling.mod machine.mod -true /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_forces.F:493:36: 493 | tmp = rho%cr3d(lb(1), :, :) @@ -61329,46 +61346,52 @@ 433 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: tmp | ^ note: 'tmp' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_states.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_barostats.mod' due to: input_cp2k_barostats.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 barostat_types.mod input_keyword_types.mod input_val_types.mod input_section_types.mod string_utilities.mod cp_units.mod kinds.mod input_cp2k_thermostats.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermostat_methods.mod' due to: thermostat_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod global_types.mod cp_para_types.mod qmmm_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod cp_subsys_types.mod molecule_kind_list_types.mod input_section_types.mod extended_system_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod al_system_dynamics.mod cp_units.mod gle_system_dynamics.mod input_constants.mod kinds.mod thermostat_utils.mod extended_system_init.mod csvr_system_init.mod al_system_init.mod message_passing.mod extended_system_dynamics.mod csvr_system_dynamics.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a' due to: thermostat_utils.o thermostat_types.o thermostat_methods.o thermostat_mapping.o input_cp2k_barostats.o gle_system_dynamics.o extended_system_mapping.o extended_system_init.o extended_system_dynamics.o csvr_system_mapping.o csvr_system_init.o csvr_system_dynamics.o barostat_utils.o barostat_types.o al_system_mapping.o al_system_init.o al_system_dynamics.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a thermostat_utils.o thermostat_types.o thermostat_methods.o thermostat_mapping.o input_cp2k_barostats.o gle_system_dynamics.o extended_system_mapping.o extended_system_init.o extended_system_dynamics.o csvr_system_mapping.o csvr_system_init.o csvr_system_dynamics.o barostat_utils.o barostat_types.o al_system_mapping.o al_system_init.o al_system_dynamics.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_md.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_barostats.mod input_constants.mod kinds.mod input_cp2k_thermostats.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_md.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gpw_forces.mod' due to: qmmm_gpw_forces.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qmmm_gaussian_types.mod cp_control_types.mod cp_para_types.mod qs_ks_qmmm_types.mod pw_env_types.mod qmmm_types_low.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod cell_types.mod particle_types.mod pw_types.mod cp_spline_utils.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cube_utils.mod qmmm_se_forces.mod input_constants.mod kinds.mod qmmm_util.mod mm_collocate_potential.mod qmmm_tb_methods.mod message_passing.mod qmmm_gpw_energy.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_atom_current.mod' due to: qs_linres_atom_current.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_atom_current.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod sap_kind_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod paw_proj_set_types.mod qs_linres_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod qs_oce_methods.mod cp_log_handling.mod input_constants.mod kinds.mod qs_grid_atom.mod qs_harmonics_atom.mod util.mod message_passing.mod orbital_pointers.mod qs_linres_op.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_current.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_kind_types.mod particle_list_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod particle_methods.mod cube_utils.mod cp_fm_struct.mod cp_dbcsr_operations.mod ao_util.mod rs_pw_interface.mod input_constants.mod kinds.mod gaussian_gridlevels.mod cp_array_utils.mod task_list_methods.mod mathconstants.mod qs_operators_ao.mod memory_utilities.mod cp_fm_basic_linalg.mod grid_api.mod orbital_pointers.mod qs_linres_op.mod qs_matrix_pools.mod qs_linres_atom_current.mod cp_dbcsr_cp2k_link.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F qs_linres_current.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_lbfgs.mod' due to: cp_lbfgs.o /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod bibliography.mod space_groups.mod kinds.mod base_hooks.mod cp_files.mod machine.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_current.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_states.mod' due to: qs_loc_states.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_states.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod input_section_types.mod wannier_states_types.mod particle_list_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod kinds.mod cp_array_utils.mod wannier_states.mod molecular_dipoles.mod qs_loc_molecules.mod molecular_states.mod molecular_moments.mod qs_loc_methods.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'localization_tb.o' due to: /build/reproducible-path/cp2k-2023.1/src/localization_tb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod particle_types.mod pw_types.mod cp_log_handling.mod qs_loc_dipole.mod qs_loc_utils.mod kinds.mod qs_loc_states.mod cp_array_utils.mod cp_fm_vect.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/localization_tb.F localization_tb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_utils.mod' due to: qs_cdft_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod qs_cdft_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod outer_scf_control_types.mod hirshfeld_methods.mod bibliography.mod cp_log_handling.mod qs_scf_output.mod cp_output_handling.mod ao_util.mod cp_units.mod input_constants.mod kinds.mod memory_utilities.mod grid_api.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/src/hfx_ri.F:841:35: - - 841 | SUBROUTINE sort_unique_blkind_2d(blk_ind) - | ^ -Warning: 'sort_unique_blkind_2d' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' localization_tb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_control_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod input_enumeration_types.mod input_section_types.mod input_keyword_types.mod pair_potential_types.mod force_fields_input.mod xc.mod qs_cdft_utils.mod bibliography.mod xc_input_constants.mod xc_write_output.mod cp_log_handling.mod cp_output_handling.mod input_cp2k_check.mod cp_files.mod string_utilities.mod input_cp2k_dft.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod mathconstants.mod util.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F cp_control_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod qs_cdft_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod qs_cdft_utils.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod ao_util.mod input_constants.mod kinds.mod grid_api.mod message_passing.mod kahan_sum.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_cdft_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod qs_force_types.mod qs_rho0_types.mod realspace_grid_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod qs_cdft_utils.mod pw_methods.mod grid_api.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod ao_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F qs_cdft_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_control_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_control_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod pair_potential_types.mod input_keyword_types.mod input_enumeration_types.mod input_section_types.mod bibliography.mod cp_files.mod xc_write_output.mod string_utilities.mod cp_units.mod qs_cdft_utils.mod mathconstants.mod util.mod xc.mod input_cp2k_dft.mod cp_log_handling.mod kinds.mod input_cp2k_check.mod input_constants.mod cp_output_handling.mod base_hooks.mod periodic_table.mod force_fields_input.mod xc_input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F cp_control_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_cdft_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_control_utils.F90 +/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:3449:13: + + 3449 | IF (ANY(mask_send)) THEN + | ^ +Warning: 'mask_send.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:2762:80: + + 2762 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^ +note: 'mask_send.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:2762:69: + + 2762 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^ +Warning: 'mask_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:3401:97: + + 3401 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched))) + | ^ +Warning: 'touched.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:2762:89: + + 2762 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^ +note: 'touched.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F:1285:62: + + 1285 | tu, wmc, wmp, wmw, zibp + | ^ +Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F:1370:38: + + 1370 | t(nbreak) = tl/(-neggi) + | ^ +Warning: 'tl' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F:1284:90: + + 1284 | f2, f2_org, neggi, tj, tj0, tl, tsum, & + | ^ +note: 'tl' was declared here /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F:1810:51: 1810 | method = enum_i2c(enum, qs_control%method_id) @@ -61379,13 +61402,19 @@ 1815 | quadrature = enum_i2c(enum, qs_control%gapw_control%quadrature) | 1 Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_md.mod' due to: input_cp2k_md.o /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_barostats.mod input_constants.mod kinds.mod input_cp2k_thermostats.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'barostat_types.mod' due to: barostat_types.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod input_section_types.mod cell_types.mod simpar_types.mod global_types.mod extended_system_types.mod base_hooks.mod kinds.mod input_constants.mod extended_system_init.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'simpar_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod input_keyword_types.mod input_section_types.mod simpar_types.mod input_cp2k_md.mod bibliography.mod cp_units.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/simpar_methods.F simpar_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_motion.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_cp2k_free_energy.mod input_cp2k_subsys.mod input_cp2k_md.mod input_cp2k_tmc.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_neb.mod input_constants.mod input_cp2k_motion_print.mod input_cp2k_constraints.mod kinds.mod input_cp2k_thermostats.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' simpar_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_methods.mod' due to: qs_loc_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod qs_matrix_pools.mod qs_loc_utils.mod cp_dbcsr_cp2k_link.mod qs_localization_methods.mod cp_dbcsr_operations.mod memory_utilities.mod qs_moments.mod string_utilities.mod cp_units.mod mathconstants.mod qs_atomic_block.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod physcon.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod motion_utils.mod cp_fm_struct.mod cp_realspace_grid_cube.mod particle_methods.mod machine.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_utils.mod' due to: xas_tdp_utils.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod qs_mo_types.mod preconditioner_types.mod cp_para_types.mod xas_tdp_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod xas_tdp_kernel.mod qs_ot_eigensolver.mod cp_dbcsr_cholesky.mod mathlib.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_diag.mod cp_blacs_env.mod cp_fm_diag.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_gpw_forces.mod' due to: qmmm_gpw_forces.o /build/reproducible-path/cp2k-2023.1/src/qmmm_gpw_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod qs_ks_qmmm_types.mod cp_para_types.mod qmmm_types_low.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod qmmm_gaussian_types.mod input_section_types.mod cube_utils.mod qmmm_gpw_energy.mod cp_spline_utils.mod pw_methods.mod message_passing.mod mm_collocate_potential.mod cp_log_handling.mod qmmm_util.mod kinds.mod input_constants.mod cp_output_handling.mod qmmm_se_forces.mod base_hooks.mod qmmm_tb_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'barostat_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod barostat_types.mod extended_system_types.mod simpar_types.mod base_hooks.mod cp_log_handling.mod machine.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_barostats.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod barostat_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' barostat_utils.F90 /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F:2064:67: 2064 | i_rep_val=k, r_vals=rtmplist) @@ -61396,9 +61425,17 @@ 1997 | TYPE(section_vals_type), POINTER :: ddapc_section | ^ note: 'ddapc_section' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_motion.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'localization_tb.mod' due to: localization_tb.o /build/reproducible-path/cp2k-2023.1/src/localization_tb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod particle_types.mod pw_types.mod cp_log_handling.mod qs_loc_dipole.mod qs_loc_utils.mod kinds.mod qs_loc_states.mod cp_array_utils.mod cp_fm_vect.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_ri.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_ri.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_loc_types.mod qs_kind_types.mod hfx_types.mod qs_mo_types.mod virial_types.mod input_section_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod qs_tensors_types.mod cp_fm_types.mod cp_array_utils.mod input_cp2k_hfx.mod qs_loc_utils.mod qs_loc_methods.mod cp_dbcsr_operations.mod arnoldi_api.mod cp_dbcsr_cholesky.mod qs_tensors.mod util.mod qs_interactions.mod dbt_api.mod message_passing.mod cp_log_handling.mod kinds.mod iterate_matrix.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod cp_dbcsr_diag.mod cp_blacs_env.mod machine.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_ri.F hfx_ri.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/thermostat/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_barostats.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_loc_states.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_loc_states.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_loc_types.mod pw_types.mod qs_mo_types.mod wannier_states_types.mod particle_list_types.mod input_section_types.mod cp_array_utils.mod qs_loc_methods.mod qs_loc_molecules.mod molecular_states.mod molecular_moments.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod wannier_states.mod molecular_dipoles.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_loc_states.F qs_loc_states.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'thermostat_methods.mod' due to: thermostat_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/thermostat_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod extended_system_types.mod distribution_1d_types.mod simpar_types.mod thermostat_types.mod atomic_kind_list_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod al_system_init.mod extended_system_dynamics.mod bibliography.mod extended_system_init.mod cp_units.mod gle_system_dynamics.mod message_passing.mod thermostat_utils.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod csvr_system_dynamics.mod al_system_dynamics.mod csvr_system_init.mod true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_ri.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'barostat_utils.mod' due to: barostat_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/barostat_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod barostat_types.mod extended_system_types.mod simpar_types.mod base_hooks.mod cp_log_handling.mod machine.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:49 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_loc_states.F90 /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F:1327:53: 1327 | t_control%auto_basis_p_lri_aux = isize @@ -61409,33 +61446,23 @@ 1271 | INTEGER :: handle, irep, isize, nrep | ^ note: 'isize' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'simpar_methods.mod' due to: simpar_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod input_keyword_types.mod input_section_types.mod simpar_types.mod input_cp2k_md.mod bibliography.mod cp_units.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_barostats.mod' due to: input_cp2k_barostats.o /build/reproducible-path/cp2k-2023.1/src/motion/thermostat/input_cp2k_barostats.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod barostat_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod kinds.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a' due to: thermostat_utils.o thermostat_types.o thermostat_methods.o thermostat_mapping.o input_cp2k_barostats.o gle_system_dynamics.o extended_system_mapping.o extended_system_init.o extended_system_dynamics.o csvr_system_mapping.o csvr_system_init.o csvr_system_dynamics.o barostat_utils.o barostat_types.o al_system_mapping.o al_system_init.o al_system_dynamics.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a thermostat_utils.o thermostat_types.o thermostat_methods.o thermostat_mapping.o input_cp2k_barostats.o gle_system_dynamics.o extended_system_mapping.o extended_system_init.o extended_system_dynamics.o csvr_system_mapping.o csvr_system_init.o csvr_system_dynamics.o barostat_utils.o barostat_types.o al_system_mapping.o al_system_init.o al_system_dynamics.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_md.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod input_cp2k_barostats.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_current.mod' due to: qs_linres_current.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_linres_types.mod realspace_grid_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod qs_mo_types.mod input_section_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod cp_fm_types.mod qs_matrix_pools.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod cube_utils.mod cp_dbcsr_operations.mod memory_utilities.mod task_list_methods.mod rs_pw_interface.mod mathconstants.mod pw_methods.mod gaussian_gridlevels.mod grid_api.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod qs_linres_op.mod cp_fm_struct.mod cp_realspace_grid_cube.mod particle_methods.mod qs_operators_ao.mod qs_linres_atom_current.mod ao_util.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_md.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'transport.o' due to: /build/reproducible-path/cp2k-2023.1/src/transport.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod transport_env_types.mod pw_pool_types.mod particle_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod cp_dbcsr_cp2k_link.mod bibliography.mod qs_linres_current.mod pw_methods.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod particle_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/transport.F transport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:50 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' transport.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_lbfgs.mod' due to: cp_lbfgs.o /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod base_hooks.mod machine.mod space_groups.mod kinds.mod bibliography.mod cp_files.mod true -/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:3449:13: - - 3449 | IF (ANY(mask_send)) THEN - | ^ -Warning: 'mask_send.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:2762:80: - - 2762 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^ -note: 'mask_send.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:2762:69: - - 2762 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^ -Warning: 'mask_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:3401:97: - - 3401 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched))) - | ^ -Warning: 'touched.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:2762:89: - - 2762 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^ -note: 'touched.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F:216:52: 216 | dft_control%auto_basis_ri_hfx = isize @@ -61446,46 +61473,46 @@ 99 | INTEGER :: excitations, irep, isize, method_id, & | ^ note: 'isize' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_control_utils.mod' due to: cp_control_utils.o /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod input_enumeration_types.mod input_section_types.mod input_keyword_types.mod pair_potential_types.mod force_fields_input.mod xc.mod qs_cdft_utils.mod bibliography.mod xc_input_constants.mod xc_write_output.mod cp_log_handling.mod cp_output_handling.mod input_cp2k_check.mod cp_files.mod string_utilities.mod input_cp2k_dft.mod cp_units.mod periodic_table.mod input_constants.mod kinds.mod mathconstants.mod util.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_loc_states.mod' due to: qs_loc_states.o /build/reproducible-path/cp2k-2023.1/src/qs_loc_states.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_loc_types.mod pw_types.mod qs_mo_types.mod wannier_states_types.mod particle_list_types.mod input_section_types.mod cp_array_utils.mod qs_loc_methods.mod qs_loc_molecules.mod molecular_states.mod molecular_moments.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod wannier_states.mod molecular_dipoles.mod true -/build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F:1290:37: - - 1290 | END FUNCTION encode_ardbmdarb_func - | ^ -Warning: 'func' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F:1263:56: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'localization_tb.o' due to: /build/reproducible-path/cp2k-2023.1/src/localization_tb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod particle_list_types.mod input_section_types.mod cp_array_utils.mod qs_loc_utils.mod cp_fm_vect.mod cp_log_handling.mod kinds.mod base_hooks.mod qs_loc_states.mod qs_loc_dipole.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/localization_tb.F localization_tb.F90 +/build/reproducible-path/cp2k-2023.1/src/hfx_ri.F:841:35: - 1263 | FUNCTION encode_ardbmdarb_func(idir, ir) RESULT(func) - | ^ -note: 'func' was declared here + 841 | SUBROUTINE sort_unique_blkind_2d(blk_ind) + | ^ +Warning: 'sort_unique_blkind_2d' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' localization_tb.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_control_utils.mod' due to: cp_control_utils.o /build/reproducible-path/cp2k-2023.1/src/cp_control_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod pair_potential_types.mod input_keyword_types.mod input_enumeration_types.mod input_section_types.mod bibliography.mod cp_files.mod xc_write_output.mod string_utilities.mod cp_units.mod qs_cdft_utils.mod mathconstants.mod util.mod xc.mod input_cp2k_dft.mod cp_log_handling.mod kinds.mod input_cp2k_check.mod input_constants.mod cp_output_handling.mod base_hooks.mod periodic_table.mod force_fields_input.mod xc_input_constants.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_post_tb.mod' due to: qs_scf_post_tb.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_tb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod task_list_types.mod cp_result_types.mod preconditioner_types.mod qs_scf_types.mod qs_dftb_types.mod xtb_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod pw_grid_types.mod scf_control_types.mod input_section_types.mod qs_collocate_density.mod qs_rho_methods.mod cp_fm_cholesky.mod cp_array_utils.mod mulliken.mod qs_dos.mod cp_dbcsr_operations.mod moments_utils.mod cp_result_methods.mod memory_utilities.mod task_list_methods.mod qs_energy_window.mod mathconstants.mod qs_dftb_utils.mod qs_ot_eigensolver.mod pw_methods.mod stm_images.mod pw_env_methods.mod qs_elf_methods.mod molden_utils.mod qs_scf_csr_write.mod population_analyses.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod physcon.mod qs_mo_occupation.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod qs_scf_wfn_mix.mod cp_fm_struct.mod cp_realspace_grid_cube.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod qs_pdos.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_md.mod' due to: input_cp2k_md.o /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_md.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod base_hooks.mod input_cp2k_thermostats.mod string_utilities.mod cp_units.mod kinds.mod input_constants.mod bibliography.mod cp_output_handling.mod input_cp2k_barostats.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'simpar_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_enumeration_types.mod simpar_types.mod base_hooks.mod cp_units.mod cp_log_handling.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_md.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/simpar_methods.F simpar_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_motion.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod base_hooks.mod input_cp2k_motion_print.mod input_cp2k_thermostats.mod input_cp2k_constraints.mod input_cp2k_tmc.mod cp_units.mod string_utilities.mod input_cp2k_free_energy.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_neb.mod input_cp2k_md.mod input_cp2k_subsys.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' simpar_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_motion.F90 /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F:1167:66: 1167 | TYPE(pw_type), DIMENSION(:), POINTER :: charge, rho_r | ^ Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F:1167:66: Warning: 'charge.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'colvar_methods.mod' due to: colvar_methods.o /build/reproducible-path/cp2k-2023.1/src/colvar_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod input_enumeration_types.mod mixed_energy_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod wannier_states_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod input_keyword_types.mod cell_types.mod particle_types.mod colvar_types.mod cp_log_handling.mod force_fields_util.mod cp_output_handling.mod fparser.mod mathlib.mod string_utilities.mod cp_units.mod input_cp2k_colvar.mod cp_parser_methods.mod input_constants.mod kinds.mod mathconstants.mod constraint_fxd.mod memory_utilities.mod message_passing.mod kahan_sum.mod rmsd.mod base_hooks.mod spherical_harmonics.mod mixed_environment_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'transport.mod' due to: transport.o /build/reproducible-path/cp2k-2023.1/src/transport.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod transport_env_types.mod pw_pool_types.mod particle_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod cp_dbcsr_cp2k_link.mod bibliography.mod qs_linres_current.mod pw_methods.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod particle_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'colvar_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/colvar_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod colvar_types.mod mathlib.mod string_utilities.mod input_constants.mod kinds.mod colvar_methods.mod memory_utilities.mod util.mod message_passing.mod rmsd.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'localization_tb.mod' due to: localization_tb.o /build/reproducible-path/cp2k-2023.1/src/localization_tb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod pw_pool_types.mod particle_types.mod particle_list_types.mod input_section_types.mod cp_array_utils.mod qs_loc_utils.mod cp_fm_vect.mod cp_log_handling.mod kinds.mod base_hooks.mod qs_loc_states.mod qs_loc_dipole.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'simpar_methods.mod' due to: simpar_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/simpar_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_enumeration_types.mod simpar_types.mod base_hooks.mod cp_units.mod cp_log_handling.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_md.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'colvar_methods.mod' due to: colvar_methods.o /build/reproducible-path/cp2k-2023.1/src/colvar_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod cp_parser_types.mod qs_environment_types.mod wannier_states_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod cp_subsys_types.mod input_keyword_types.mod particle_types.mod cell_types.mod input_enumeration_types.mod mixed_energy_types.mod particle_list_types.mod input_section_types.mod constraint_fxd.mod mixed_environment_utils.mod rmsd.mod spherical_harmonics.mod force_fields_util.mod input_cp2k_colvar.mod memory_utilities.mod string_utilities.mod cp_units.mod cp_parser_methods.mod mathconstants.mod mathlib.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod fparser.mod cp_output_handling.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'colvar_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/colvar_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod molecule_list_types.mod distribution_1d_types.mod molecule_kind_types.mod colvar_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod colvar_methods.mod rmsd.mod memory_utilities.mod string_utilities.mod mathlib.mod util.mod message_passing.mod kinds.mod input_constants.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/colvar_utils.F colvar_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cell_types.mod molecule_types.mod particle_types.mod distribution_1d_types.mod molecule_kind_types.mod colvar_methods.mod message_passing.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod virial_types.mod base_hooks.mod colvar_methods.mod message_passing.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_util.F constraint_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_clv.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_clv.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod colvar_methods.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_clv.F constraint_clv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' colvar_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'restraint.o' due to: /build/reproducible-path/cp2k-2023.1/src/restraint.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod molecule_kind_list_types.mod cell_types.mod molecule_types.mod particle_types.mod force_env_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod colvar_types.mod particle_list_types.mod colvar_methods.mod message_passing.mod constraint_fxd.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/restraint.F restraint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_clv.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'metadynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 metadynamics_types.mod simpar_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod colvar_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod input_constants.mod metadynamics_utils.mod kinds.mod colvar_methods.mod constraint_fxd.mod message_passing.mod reference_manager.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadynamics.F metadynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' restraint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' metadynamics.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_motion.mod' due to: input_cp2k_motion.o /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_cp2k_free_energy.mod input_cp2k_subsys.mod input_cp2k_md.mod input_cp2k_tmc.mod string_utilities.mod bibliography.mod cp_units.mod input_cp2k_neb.mod input_constants.mod input_cp2k_motion_print.mod input_cp2k_constraints.mod kinds.mod input_cp2k_thermostats.mod cp_output_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_output_handling.mod string_utilities.mod input_cp2k_rsgrid.mod input_constants.mod kinds.mod cp_eri_mme_interface.mod input_cp2k_motion.mod input_optimize_input.mod input_cp2k_force_eval.mod pw_grids.mod input_cp2k_vib.mod input_cp2k_atom.mod input_optimize_basis.mod shg_integrals_test.mod input_cp2k_global.mod swarm_input.mod input_cp2k_negf.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k.F input_cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k.F90 /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F:437:78: 437 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const @@ -61538,14 +61565,17 @@ | ^ Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F:173:66: Warning: 'charge.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_clv.mod' due to: constraint_clv.o /build/reproducible-path/cp2k-2023.1/src/constraint_clv.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod molecule_kind_types.mod colvar_types.mod colvar_methods.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'restraint.mod' due to: restraint.o /build/reproducible-path/cp2k-2023.1/src/restraint.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod molecule_kind_list_types.mod cell_types.mod molecule_types.mod particle_types.mod force_env_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod colvar_types.mod particle_list_types.mod colvar_methods.mod message_passing.mod constraint_fxd.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_util.mod' due to: constraint_util.o /build/reproducible-path/cp2k-2023.1/src/constraint_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cell_types.mod molecule_types.mod particle_types.mod distribution_1d_types.mod molecule_kind_types.mod colvar_methods.mod message_passing.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod colvar_types.mod cp_log_handling.mod constraint_4x6.mod constraint_util.mod input_constants.mod kinds.mod constraint_vsite.mod memory_utilities.mod constraint_3x3.mod message_passing.mod constraint_clv.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint.F constraint.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint_clv.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint_clv.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod colvar_types.mod input_section_types.mod base_hooks.mod colvar_methods.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint_clv.F constraint_clv.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'restraint.o' due to: /build/reproducible-path/cp2k-2023.1/src/restraint.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod molecule_kind_types.mod molecule_types.mod particle_types.mod cell_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod colvar_types.mod colvar_methods.mod constraint_fxd.mod message_passing.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/restraint.F restraint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' colvar_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'metadynamics.o' due to: /build/reproducible-path/cp2k-2023.1/src/metadynamics.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod simpar_types.mod metadynamics_types.mod colvar_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_section_types.mod reference_manager.mod colvar_methods.mod constraint_fxd.mod bibliography.mod metadynamics_utils.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/metadynamics.F metadynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint_clv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' restraint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' metadynamics.F90 /build/reproducible-path/cp2k-2023.1/src/metadynamics.F:603:22: 603 | IF (scal*check_val > 0.0_dp) CYCLE @@ -61556,51 +61586,6 @@ 377 | REAL(kind=dp) :: check_val, diff_ss, dt, ekin_w, fac_t, & | ^ note: 'check_val' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'colvar_utils.mod' due to: colvar_utils.o /build/reproducible-path/cp2k-2023.1/src/colvar_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod colvar_types.mod mathlib.mod string_utilities.mod input_constants.mod kinds.mod colvar_methods.mod memory_utilities.mod util.mod message_passing.mod rmsd.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'averages_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/averages_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_ener_types.mod virial_types.mod cell_types.mod input_section_types.mod force_env_types.mod colvar_utils.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/averages_types.F averages_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_constraint_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod topology_types.mod qmmm_types_low.mod molecule_kind_types.mod colvar_types.mod colvar_methods.mod colvar_utils.mod qmmm_ff_fist.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F topology_constraint_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' averages_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'metadynamics.mod' due to: metadynamics.o /build/reproducible-path/cp2k-2023.1/src/metadynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 metadynamics_types.mod simpar_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod colvar_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod input_constants.mod metadynamics_utils.mod kinds.mod colvar_methods.mod constraint_fxd.mod message_passing.mod reference_manager.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_constraint_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k.mod' due to: input_cp2k.o /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_output_handling.mod string_utilities.mod input_cp2k_rsgrid.mod input_constants.mod kinds.mod cp_eri_mme_interface.mod input_cp2k_motion.mod input_optimize_input.mod input_cp2k_force_eval.mod pw_grids.mod input_cp2k_vib.mod input_cp2k_atom.mod input_optimize_basis.mod shg_integrals_test.mod input_cp2k_global.mod swarm_input.mod input_cp2k_negf.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_methods.mod' due to: qs_cdft_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod qs_cdft_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod qs_cdft_utils.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod ao_util.mod input_constants.mod kinds.mod grid_api.mod message_passing.mod kahan_sum.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_apply_restraints.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod pw_pool_types.mod qs_cdft_types.mod pw_types.mod qs_cdft_methods.mod pw_methods.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod s_square_methods.mod mulliken.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_current.mod' due to: qs_linres_current.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_current.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_kind_types.mod particle_list_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod particle_methods.mod cube_utils.mod cp_fm_struct.mod cp_dbcsr_operations.mod ao_util.mod rs_pw_interface.mod input_constants.mod kinds.mod gaussian_gridlevels.mod cp_array_utils.mod task_list_methods.mod mathconstants.mod qs_operators_ao.mod memory_utilities.mod cp_fm_basic_linalg.mod grid_api.mod orbital_pointers.mod qs_linres_op.mod qs_matrix_pools.mod qs_linres_atom_current.mod cp_dbcsr_cp2k_link.mod base_hooks.mod cp_realspace_grid_cube.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'transport.o' due to: /build/reproducible-path/cp2k-2023.1/src/transport.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 transport_env_types.mod qs_rho_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod pw_methods.mod particle_methods.mod qs_linres_current.mod kinds.mod message_passing.mod cp_dbcsr_cp2k_link.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/transport.F transport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_apply_restraints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' transport.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'averages_types.mod' due to: averages_types.o /build/reproducible-path/cp2k-2023.1/src/motion/averages_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_ener_types.mod virial_types.mod cell_types.mod input_section_types.mod force_env_types.mod colvar_utils.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 averages_types.mod md_ener_types.mod barostat_types.mod cell_types.mod thermal_region_types.mod input_section_types.mod simpar_types.mod extended_system_types.mod free_energy_types.mod force_env_types.mod thermostat_types.mod cp_para_types.mod reftraj_types.mod input_constants.mod kinds.mod cp_para_env.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_environment_types.F md_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_environment_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint.mod' due to: constraint.o /build/reproducible-path/cp2k-2023.1/src/constraint.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod colvar_types.mod cp_log_handling.mod constraint_4x6.mod constraint_util.mod input_constants.mod kinds.mod constraint_vsite.mod memory_utilities.mod constraint_3x3.mod message_passing.mod constraint_clv.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_env_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_env_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod molecule_kind_list_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod force_env_types.mod atomic_kind_list_types.mod distribution_1d_types.mod particle_list_types.mod constraint.mod kinds.mod base_hooks.mod constraint_util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_env_utils.F force_env_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F:806:66: - - 806 | fixd_list(kk)%coord(1:3) = r(1:3) - | ^ -Warning: 'itype' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F:101:77: - - 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & - | ^ -note: 'itype' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_env_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_apply_restraints.mod' due to: qs_ks_apply_restraints.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod pw_pool_types.mod qs_cdft_types.mod pw_types.mod qs_cdft_methods.mod pw_methods.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod s_square_methods.mod mulliken.mod base_hooks.mod -true /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:3879:61: 3879 | DO i = LBOUND(weight, 3), UBOUND(weight, 3) @@ -61750,118 +61735,107 @@ 3545 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:) :: cell_functions, distances, ds_dR_i, & | ^ note: 'distances.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_environment_types.mod' due to: md_environment_types.o /build/reproducible-path/cp2k-2023.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 averages_types.mod md_ener_types.mod barostat_types.mod cell_types.mod thermal_region_types.mod input_section_types.mod simpar_types.mod extended_system_types.mod free_energy_types.mod force_env_types.mod thermostat_types.mod cp_para_types.mod reftraj_types.mod input_constants.mod kinds.mod cp_para_env.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'wiener_process.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod input_section_types.mod simpar_types.mod parallel_rng_types.mod metadynamics_types.mod force_env_types.mod atomic_kind_list_types.mod distribution_1d_types.mod cp_para_types.mod particle_list_types.mod string_utilities.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/wiener_process.F wiener_process.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'integrator_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod barostat_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod shell_potential_types.mod md_environment_types.mod extended_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod constraint_util.mod input_constants.mod constraint.mod kinds.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/integrator_utils.F integrator_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_conserved_quantities.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod qmmm_types.mod atomic_kind_types.mod simpar_types.mod qmmmx_types.mod thermostat_types.mod cp_subsys_types.mod qmmm_types_low.mod shell_potential_types.mod md_environment_types.mod input_section_types.mod extended_system_types.mod force_env_types.mod distribution_1d_types.mod particle_list_types.mod md_ener_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod barostat_utils.mod physcon.mod input_constants.mod kinds.mod thermostat_utils.mod mathconstants.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' wiener_process.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' integrator_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'reftraj_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod particle_types.mod atomic_kind_list_types.mod reftraj_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod machine.mod string_utilities.mod cp_units.mod cp_parser_methods.mod kinds.mod util.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_util.F reftraj_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_conserved_quantities.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_callback.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_ener_types.mod md_environment_types.mod force_env_types.mod cp_subsys_types.mod mdctrl_types.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/glbopt_callback.F glbopt_callback.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' reftraj_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'free_energy_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod input_section_types.mod simpar_types.mod force_env_types.mod free_energy_types.mod colvar_methods.mod mathlib.mod string_utilities.mod statistical_methods.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod fparser.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/free_energy_methods.F free_energy_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_callback.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:56 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' free_energy_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_env_utils.mod' due to: force_env_utils.o /build/reproducible-path/cp2k-2023.1/src/force_env_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod molecule_kind_list_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod force_env_types.mod atomic_kind_list_types.mod distribution_1d_types.mod particle_list_types.mod constraint.mod kinds.mod base_hooks.mod constraint_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_clv.mod' due to: constraint_clv.o /build/reproducible-path/cp2k-2023.1/src/constraint_clv.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod colvar_types.mod input_section_types.mod base_hooks.mod colvar_methods.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'transport.mod' due to: transport.o /build/reproducible-path/cp2k-2023.1/src/transport.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 transport_env_types.mod qs_rho_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod particle_types.mod pw_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod pw_methods.mod particle_methods.mod qs_linres_current.mod kinds.mod message_passing.mod cp_dbcsr_cp2k_link.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'restraint.mod' due to: restraint.o /build/reproducible-path/cp2k-2023.1/src/restraint.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod molecule_kind_types.mod molecule_types.mod particle_types.mod cell_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod colvar_types.mod colvar_methods.mod constraint_fxd.mod message_passing.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'wiener_process.mod' due to: wiener_process.o /build/reproducible-path/cp2k-2023.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod input_section_types.mod simpar_types.mod parallel_rng_types.mod metadynamics_types.mod force_env_types.mod atomic_kind_list_types.mod distribution_1d_types.mod cp_para_types.mod particle_list_types.mod string_utilities.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint_util.mod' due to: constraint_util.o /build/reproducible-path/cp2k-2023.1/src/constraint_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod virial_types.mod base_hooks.mod colvar_methods.mod message_passing.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_callback.mod' due to: glbopt_callback.o /build/reproducible-path/cp2k-2023.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_ener_types.mod md_environment_types.mod force_env_types.mod cp_subsys_types.mod mdctrl_types.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'constraint.o' due to: /build/reproducible-path/cp2k-2023.1/src/constraint.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod distribution_1d_types.mod simpar_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod constraint_4x6.mod constraint_vsite.mod memory_utilities.mod constraint_util.mod constraint_clv.mod constraint_3x3.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/constraint.F constraint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' constraint.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'metadynamics.mod' due to: metadynamics.o /build/reproducible-path/cp2k-2023.1/src/metadynamics.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod simpar_types.mod metadynamics_types.mod colvar_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_section_types.mod reference_manager.mod colvar_methods.mod constraint_fxd.mod bibliography.mod metadynamics_utils.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mdctrl_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod mdctrl_types.mod base_hooks.mod glbopt_callback.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mdctrl_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_constraint_util.mod' due to: topology_constraint_util.o /build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod topology_types.mod qmmm_types_low.mod molecule_kind_types.mod colvar_types.mod colvar_methods.mod colvar_utils.mod qmmm_ff_fist.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'colvar_utils.mod' due to: colvar_utils.o /build/reproducible-path/cp2k-2023.1/src/colvar_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod molecule_list_types.mod distribution_1d_types.mod molecule_kind_types.mod colvar_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod colvar_methods.mod rmsd.mod memory_utilities.mod string_utilities.mod mathlib.mod util.mod message_passing.mod kinds.mod input_constants.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 topology_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod molecule_types.mod qmmm_types_low.mod input_section_types.mod colvar_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod colvar_utils.mod topology_xtl.mod input_cp2k_binary_restarts.mod topology_coordinate_util.mod cp_log_handling.mod topology_pdb.mod cp_output_handling.mod topology_util.mod topology_connectivity_util.mod topology_input.mod topology_xyz.mod topology_constraint_util.mod input_constants.mod kinds.mod topology_cif.mod cell_methods.mod topology_cp2k.mod topology_psf.mod topology_multiple_unit_cell.mod mm_mapping_library.mod topology_amber.mod topology_gromos.mod atoms_input.mod string_table.mod topology_generate_util.mod base_hooks.mod qmmm_topology_util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology.F topology.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_conserved_quantities.mod' due to: md_conserved_quantities.o /build/reproducible-path/cp2k-2023.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod qmmm_types.mod atomic_kind_types.mod simpar_types.mod qmmmx_types.mod thermostat_types.mod cp_subsys_types.mod qmmm_types_low.mod shell_potential_types.mod md_environment_types.mod input_section_types.mod extended_system_types.mod force_env_types.mod distribution_1d_types.mod particle_list_types.mod md_ener_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod barostat_utils.mod physcon.mod input_constants.mod kinds.mod thermostat_utils.mod mathconstants.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'averages_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/averages_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod md_ener_types.mod cell_types.mod input_section_types.mod virial_types.mod base_hooks.mod cp_log_handling.mod kinds.mod colvar_utils.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/averages_types.F averages_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology_constraint_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod qmmm_types_low.mod atomic_kind_types.mod cell_types.mod topology_types.mod colvar_types.mod input_section_types.mod base_hooks.mod colvar_methods.mod memory_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod kinds.mod input_constants.mod colvar_utils.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F topology_constraint_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_cdft_methods.mod' due to: qs_cdft_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_cdft_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod qs_force_types.mod qs_rho0_types.mod realspace_grid_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod qs_cdft_utils.mod pw_methods.mod grid_api.mod message_passing.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod ao_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mdctrl_methods.mod' due to: mdctrl_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod mdctrl_types.mod base_hooks.mod glbopt_callback.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_apply_restraints.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod qs_mo_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod qs_rho_types.mod cp_fm_types.mod mulliken.mod qs_cdft_methods.mod cp_dbcsr_operations.mod pw_methods.mod kinds.mod input_constants.mod base_hooks.mod s_square_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' averages_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology_constraint_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_apply_restraints.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_motion.mod' due to: input_cp2k_motion.o /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k_motion.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod base_hooks.mod input_cp2k_motion_print.mod input_cp2k_thermostats.mod input_cp2k_constraints.mod input_cp2k_tmc.mod cp_units.mod string_utilities.mod input_cp2k_free_energy.mod kinds.mod input_constants.mod bibliography.mod input_cp2k_neb.mod input_cp2k_md.mod input_cp2k_subsys.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'reftraj_util.mod' due to: reftraj_util.o /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod particle_types.mod atomic_kind_list_types.mod reftraj_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_files.mod machine.mod string_utilities.mod cp_units.mod cp_parser_methods.mod kinds.mod util.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_cp2k_vib.mod cp_eri_mme_interface.mod input_cp2k_atom.mod string_utilities.mod swarm_input.mod input_cp2k_rsgrid.mod input_cp2k_motion.mod input_cp2k_negf.mod input_optimize_basis.mod shg_integrals_test.mod kinds.mod input_constants.mod pw_grids.mod cp_output_handling.mod base_hooks.mod input_cp2k_global.mod input_cp2k_force_eval.mod input_optimize_input.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k.F input_cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:55 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_apply_restraints.mod' due to: qs_ks_apply_restraints.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_apply_restraints.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod qs_mo_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod qs_rho_types.mod cp_fm_types.mod mulliken.mod qs_cdft_methods.mod cp_dbcsr_operations.mod pw_methods.mod kinds.mod input_constants.mod base_hooks.mod s_square_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology.mod' due to: topology.o /build/reproducible-path/cp2k-2023.1/src/topology.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 topology_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod molecule_types.mod qmmm_types_low.mod input_section_types.mod colvar_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod colvar_utils.mod topology_xtl.mod input_cp2k_binary_restarts.mod topology_coordinate_util.mod cp_log_handling.mod topology_pdb.mod cp_output_handling.mod topology_util.mod topology_connectivity_util.mod topology_input.mod topology_xyz.mod topology_constraint_util.mod input_constants.mod kinds.mod topology_cif.mod cell_methods.mod topology_cp2k.mod topology_psf.mod topology_multiple_unit_cell.mod mm_mapping_library.mod topology_amber.mod topology_gromos.mod atoms_input.mod string_table.mod topology_generate_util.mod base_hooks.mod qmmm_topology_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'averages_types.mod' due to: averages_types.o /build/reproducible-path/cp2k-2023.1/src/motion/averages_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod md_ener_types.mod cell_types.mod input_section_types.mod virial_types.mod base_hooks.mod cp_log_handling.mod kinds.mod colvar_utils.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_subsys_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod virial_types.mod topology_types.mod cp_result_types.mod atprop_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod topology_util.mod topology_connectivity_util.mod input_constants.mod kinds.mod colvar_methods.mod topology.mod cp_para_env.mod string_table.mod base_hooks.mod topology_coordinate_util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_subsys_methods.F cp_subsys_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_master.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod exclusion_types.mod atomic_kind_types.mod molecule_types.mod input_section_types.mod molecule_kind_types.mod particle_types.mod colvar_types.mod swarm_message.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod cp_units.mod input_constants.mod kinds.mod topology.mod glbopt_mincrawl.mod glbopt_minhop.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_master.F glbopt_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:38:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_master.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'integrator_utils.mod' due to: integrator_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod barostat_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod shell_potential_types.mod md_environment_types.mod extended_system_types.mod distribution_1d_types.mod molecule_kind_types.mod cell_types.mod particle_types.mod constraint_util.mod input_constants.mod constraint.mod kinds.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_environment_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod reftraj_types.mod md_ener_types.mod cell_types.mod free_energy_types.mod simpar_types.mod thermostat_types.mod barostat_types.mod extended_system_types.mod averages_types.mod cp_para_types.mod input_section_types.mod thermal_region_types.mod base_hooks.mod cp_para_env.mod kinds.mod input_constants.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_environment_types.F md_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_environment_types.F90 +/build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F:806:66: + + 806 | fixd_list(kk)%coord(1:3) = r(1:3) + | ^ +Warning: 'itype' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F:101:77: + + 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & + | ^ +note: 'itype' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'constraint.mod' due to: constraint.o /build/reproducible-path/cp2k-2023.1/src/constraint.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod distribution_1d_types.mod simpar_types.mod molecule_kind_types.mod colvar_types.mod cp_para_types.mod particle_types.mod cell_types.mod input_section_types.mod constraint_4x6.mod constraint_vsite.mod memory_utilities.mod constraint_util.mod constraint_clv.mod constraint_3x3.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_master.mod' due to: glbopt_master.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod exclusion_types.mod atomic_kind_types.mod molecule_types.mod input_section_types.mod molecule_kind_types.mod particle_types.mod colvar_types.mod swarm_message.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod cp_units.mod input_constants.mod kinds.mod topology.mod glbopt_mincrawl.mod glbopt_minhop.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_env_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_env_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod input_section_types.mod molecule_types.mod particle_types.mod cell_types.mod atomic_kind_list_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod base_hooks.mod constraint_util.mod kinds.mod constraint.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_env_utils.F force_env_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_env_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k.mod' due to: input_cp2k.o /build/reproducible-path/cp2k-2023.1/src/start/input_cp2k.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_cp2k_vib.mod cp_eri_mme_interface.mod input_cp2k_atom.mod string_utilities.mod swarm_input.mod input_cp2k_rsgrid.mod input_cp2k_motion.mod input_cp2k_negf.mod input_optimize_basis.mod shg_integrals_test.mod kinds.mod input_constants.mod pw_grids.mod cp_output_handling.mod base_hooks.mod input_cp2k_global.mod input_cp2k_force_eval.mod input_optimize_input.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_master.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod global_types.mod input_section_types.mod cp_para_types.mod swarm_message.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_external_control.mod glbopt_master.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_master.F swarm_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_master.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_subsys_methods.mod' due to: cp_subsys_methods.o /build/reproducible-path/cp2k-2023.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod virial_types.mod topology_types.mod cp_result_types.mod atprop_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod topology_util.mod topology_connectivity_util.mod input_constants.mod kinds.mod colvar_methods.mod topology.mod cp_para_env.mod string_table.mod base_hooks.mod topology_coordinate_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_environment_types.mod' due to: md_environment_types.o /build/reproducible-path/cp2k-2023.1/src/motion/md_environment_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod reftraj_types.mod md_ener_types.mod cell_types.mod free_energy_types.mod simpar_types.mod thermostat_types.mod barostat_types.mod extended_system_types.mod averages_types.mod cp_para_types.mod input_section_types.mod thermal_region_types.mod base_hooks.mod cp_para_env.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'free_energy_methods.mod' due to: free_energy_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod input_section_types.mod simpar_types.mod force_env_types.mod free_energy_types.mod colvar_methods.mod mathlib.mod string_utilities.mod statistical_methods.mod cp_log_handling.mod input_constants.mod kinds.mod memory_utilities.mod cp_output_handling.mod base_hooks.mod fparser.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'wiener_process.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod force_env_types.mod parallel_rng_types.mod atomic_kind_list_types.mod simpar_types.mod particle_list_types.mod metadynamics_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/wiener_process.F wiener_process.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'integrator_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod shell_potential_types.mod extended_system_types.mod distribution_1d_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod virial_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod barostat_types.mod constraint_util.mod constraint.mod message_passing.mod kinds.mod input_constants.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/integrator_utils.F integrator_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'reftraj_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod distribution_1d_types.mod reftraj_types.mod simpar_types.mod md_environment_types.mod atomic_kind_list_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod particle_list_types.mod input_section_types.mod cp_files.mod string_utilities.mod cp_units.mod cp_parser_methods.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_util.F reftraj_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_conserved_quantities.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod shell_potential_types.mod extended_system_types.mod distribution_1d_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod atomic_kind_list_types.mod qmmmx_types.mod cp_para_types.mod md_ener_types.mod qmmm_types_low.mod cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod barostat_utils.mod mathconstants.mod message_passing.mod thermostat_utils.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' wiener_process.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'free_energy_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod force_env_types.mod free_energy_types.mod simpar_types.mod input_section_types.mod colvar_methods.mod base_hooks.mod string_utilities.mod statistical_methods.mod memory_utilities.mod cp_log_handling.mod kinds.mod fparser.mod mathlib.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/free_energy_methods.F free_energy_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_callback.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod force_env_types.mod mdctrl_types.mod md_ener_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/glbopt_callback.F glbopt_callback.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' integrator_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' reftraj_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_conserved_quantities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_callback.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' free_energy_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_callback.mod' due to: glbopt_callback.o /build/reproducible-path/cp2k-2023.1/src/motion/glbopt_callback.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod force_env_types.mod mdctrl_types.mod md_ener_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_subsys_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod basis_set_types.mod external_potential_types.mod cell_types.mod input_section_types.mod atom_types.mod cp_subsys_types.mod qs_subsys_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_methods.mod kinds.mod base_hooks.mod cell_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_subsys_methods.F qs_subsys_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_efield_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod fist_energy_types.mod molecule_types.mod cp_subsys_types.mod qmmm_types_low.mod fist_environment_types.mod input_section_types.mod multipole_types.mod ewald_pw_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod distribution_methods.mod cp_symmetry.mod kinds.mod cell_methods.mod header.mod ewald_pw_methods.mod force_fields.mod cp_subsys_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_environment.F fist_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod mixed_energy_types.mod cell_types.mod mixed_environment_types.mod input_section_types.mod molecule_types.mod particle_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod distribution_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod cell_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_environment.F mixed_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod nnp_environment_types.mod cell_types.mod particle_types.mod bibliography.mod cp_log_handling.mod particle_methods.mod distribution_methods.mod cp_parser_methods.mod periodic_table.mod kinds.mod cell_methods.mod nnp_acsf.mod cp_subsys_methods.mod nnp_model.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_environment.F nnp_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'embed_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/embed_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod embed_types.mod input_section_types.mod molecule_types.mod particle_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod distribution_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod cell_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/embed_environment.F embed_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' embed_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eip_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/eip_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eip_environment_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod distribution_methods.mod particle_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod cell_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eip_environment.F eip_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_master.mod' due to: swarm_master.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod global_types.mod input_section_types.mod cp_para_types.mod swarm_message.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_external_control.mod glbopt_master.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_env_utils.mod' due to: force_env_utils.o /build/reproducible-path/cp2k-2023.1/src/force_env_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod input_section_types.mod molecule_types.mod particle_types.mod cell_types.mod atomic_kind_list_types.mod molecule_list_types.mod particle_list_types.mod distribution_1d_types.mod base_hooks.mod constraint_util.mod kinds.mod constraint.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:00 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eip_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'embed_environment.mod' due to: embed_environment.o /build/reproducible-path/cp2k-2023.1/src/embed_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod cell_types.mod embed_types.mod input_section_types.mod molecule_types.mod particle_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod distribution_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod cell_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mdctrl_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod mdctrl_types.mod glbopt_callback.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'wiener_process.mod' due to: wiener_process.o /build/reproducible-path/cp2k-2023.1/src/motion/wiener_process.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod force_env_types.mod parallel_rng_types.mod atomic_kind_list_types.mod simpar_types.mod particle_list_types.mod metadynamics_types.mod distribution_1d_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod string_utilities.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'embed_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/embed_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 embed_types.mod input_section_types.mod cp_para_types.mod cp_files.mod message_passing.mod cp_para_env.mod embed_environment.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/embed_main.F embed_main.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_environment.mod' due to: mixed_environment.o /build/reproducible-path/cp2k-2023.1/src/mixed_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod mixed_energy_types.mod cell_types.mod mixed_environment_types.mod input_section_types.mod molecule_types.mod particle_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod distribution_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod cell_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mdctrl_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology_constraint_util.mod' due to: topology_constraint_util.o /build/reproducible-path/cp2k-2023.1/src/topology_constraint_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod molecule_kind_types.mod particle_types.mod qmmm_types_low.mod atomic_kind_types.mod cell_types.mod topology_types.mod colvar_types.mod input_section_types.mod base_hooks.mod colvar_methods.mod memory_utilities.mod qmmm_ff_fist.mod cp_log_handling.mod kinds.mod input_constants.mod colvar_utils.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' embed_main.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_subsys_methods.mod' due to: qs_subsys_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_kind_types.mod atomic_kind_types.mod basis_set_types.mod external_potential_types.mod cell_types.mod input_section_types.mod atom_types.mod cp_subsys_types.mod qs_subsys_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_methods.mod kinds.mod base_hooks.mod cell_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'topology.o' due to: /build/reproducible-path/cp2k-2023.1/src/topology.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod molecule_kind_types.mod topology_types.mod exclusion_types.mod cp_para_types.mod colvar_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod input_section_types.mod topology_pdb.mod input_cp2k_binary_restarts.mod topology_cp2k.mod topology_coordinate_util.mod cell_methods.mod qmmm_topology_util.mod topology_util.mod topology_constraint_util.mod cp_log_handling.mod topology_gromos.mod kinds.mod input_constants.mod topology_psf.mod topology_xtl.mod cp_output_handling.mod atoms_input.mod mm_mapping_library.mod topology_amber.mod topology_xyz.mod base_hooks.mod topology_input.mod string_table.mod topology_connectivity_util.mod topology_cif.mod topology_generate_util.mod topology_multiple_unit_cell.mod colvar_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/topology.F topology.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:40:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' topology.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'reftraj_util.mod' due to: reftraj_util.o /build/reproducible-path/cp2k-2023.1/src/motion/reftraj_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod distribution_1d_types.mod reftraj_types.mod simpar_types.mod md_environment_types.mod atomic_kind_list_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod particle_list_types.mod input_section_types.mod cp_files.mod string_utilities.mod cp_units.mod cp_parser_methods.mod util.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod machine.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_environment_types.mod input_section_types.mod cp_para_types.mod cp_files.mod message_passing.mod cp_para_env.mod cp_log_handling.mod mixed_environment.mod kinds.mod base_hooks.mod cp_output_handling.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_main.F mixed_main.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pwdft_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/pwdft_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod pwdft_environment_types.mod qs_subsys_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_subsys_methods.mod particle_methods.mod machine.mod distribution_methods.mod cp_symmetry.mod sirius_interface.mod kinds.mod header.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pwdft_environment.F pwdft_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pwdft_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eip_environment.mod' due to: eip_environment.o /build/reproducible-path/cp2k-2023.1/src/eip_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 eip_environment_types.mod atomic_kind_types.mod cell_types.mod input_section_types.mod molecule_types.mod particle_types.mod cp_subsys_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_para_types.mod distribution_methods.mod particle_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod cell_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_conserved_quantities.mod' due to: md_conserved_quantities.o /build/reproducible-path/cp2k-2023.1/src/motion/md_conserved_quantities.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod shell_potential_types.mod extended_system_types.mod distribution_1d_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod atomic_kind_list_types.mod qmmmx_types.mod cp_para_types.mod md_ener_types.mod qmmm_types_low.mod cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod particle_list_types.mod input_section_types.mod barostat_utils.mod mathconstants.mod message_passing.mod thermostat_utils.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/src/embed_main.F:167:68: - - 167 | embed_env%sub_logger(i)%p%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_environment.mod' due to: fist_environment.o /build/reproducible-path/cp2k-2023.1/src/fist_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_efield_types.mod fist_nonbond_env_types.mod ewald_environment_types.mod cp_para_types.mod exclusion_types.mod atomic_kind_types.mod fist_energy_types.mod molecule_types.mod cp_subsys_types.mod qmmm_types_low.mod fist_environment_types.mod input_section_types.mod multipole_types.mod ewald_pw_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod distribution_methods.mod cp_symmetry.mod kinds.mod cell_methods.mod header.mod ewald_pw_methods.mod force_fields.mod cp_subsys_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mdctrl_methods.mod' due to: mdctrl_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/mdctrl_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod mdctrl_types.mod glbopt_callback.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/src/mixed_main.F:166:68: - - 166 | mixed_env%sub_logger(i)%p%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'embed_main.mod' due to: embed_main.o /build/reproducible-path/cp2k-2023.1/src/embed_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 embed_types.mod input_section_types.mod cp_para_types.mod cp_files.mod message_passing.mod cp_para_env.mod embed_environment.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'topology.mod' due to: topology.o /build/reproducible-path/cp2k-2023.1/src/topology.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod molecule_kind_types.mod topology_types.mod exclusion_types.mod cp_para_types.mod colvar_types.mod qmmm_types_low.mod particle_types.mod cell_types.mod input_section_types.mod topology_pdb.mod input_cp2k_binary_restarts.mod topology_cp2k.mod topology_coordinate_util.mod cell_methods.mod qmmm_topology_util.mod topology_util.mod topology_constraint_util.mod cp_log_handling.mod topology_gromos.mod kinds.mod input_constants.mod topology_psf.mod topology_xtl.mod cp_output_handling.mod atoms_input.mod mm_mapping_library.mod topology_amber.mod topology_xyz.mod base_hooks.mod topology_input.mod string_table.mod topology_connectivity_util.mod topology_cif.mod topology_generate_util.mod topology_multiple_unit_cell.mod colvar_utils.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_subsys_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod atomic_kind_list_types.mod virial_types.mod cp_result_types.mod molecule_kind_types.mod topology_types.mod exclusion_types.mod cp_para_types.mod qmmm_types_low.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod atprop_types.mod input_section_types.mod colvar_methods.mod topology.mod topology_coordinate_util.mod topology_util.mod kinds.mod input_constants.mod base_hooks.mod string_table.mod cp_para_env.mod topology_connectivity_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp_subsys_methods.F cp_subsys_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_master.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod molecule_kind_types.mod exclusion_types.mod colvar_types.mod cp_para_types.mod particle_types.mod input_section_types.mod cp_units.mod glbopt_minhop.mod topology.mod cp_log_handling.mod swarm_message.mod kinds.mod input_constants.mod glbopt_mincrawl.mod cp_output_handling.mod base_hooks.mod particle_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_master.F glbopt_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_master.F90 /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F:1321:16: 1321 | IF (ANY(homo(:, ispin) /= nmo)) THEN @@ -61897,9 +61871,71 @@ 1185 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & | ^ note: 'density_matrix.offset' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_main.mod' due to: mixed_main.o /build/reproducible-path/cp2k-2023.1/src/mixed_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_environment_types.mod input_section_types.mod cp_para_types.mod cp_files.mod message_passing.mod cp_para_env.mod cp_log_handling.mod mixed_environment.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'integrator_utils.mod' due to: integrator_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/integrator_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod shell_potential_types.mod extended_system_types.mod distribution_1d_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod virial_types.mod molecule_kind_types.mod cp_para_types.mod particle_types.mod cell_types.mod barostat_types.mod constraint_util.mod constraint.mod message_passing.mod kinds.mod input_constants.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'free_energy_methods.mod' due to: free_energy_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/free_energy_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod md_environment_types.mod force_env_types.mod free_energy_types.mod simpar_types.mod input_section_types.mod colvar_methods.mod base_hooks.mod string_utilities.mod statistical_methods.mod memory_utilities.mod cp_log_handling.mod kinds.mod fparser.mod mathlib.mod input_constants.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_master.mod' due to: glbopt_master.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_master.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod molecule_kind_types.mod exclusion_types.mod colvar_types.mod cp_para_types.mod particle_types.mod input_section_types.mod cp_units.mod glbopt_minhop.mod topology.mod cp_log_handling.mod swarm_message.mod kinds.mod input_constants.mod glbopt_mincrawl.mod cp_output_handling.mod base_hooks.mod particle_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_master.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod global_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod glbopt_master.mod cp_log_handling.mod swarm_message.mod input_constants.mod kinds.mod cp_external_control.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_master.F swarm_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_master.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_subsys_methods.mod' due to: cp_subsys_methods.o /build/reproducible-path/cp2k-2023.1/src/cp_subsys_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod atomic_kind_list_types.mod virial_types.mod cp_result_types.mod molecule_kind_types.mod topology_types.mod exclusion_types.mod cp_para_types.mod qmmm_types_low.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod atprop_types.mod input_section_types.mod colvar_methods.mod topology.mod topology_coordinate_util.mod topology_util.mod kinds.mod input_constants.mod base_hooks.mod string_table.mod cp_para_env.mod topology_connectivity_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'eip_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/eip_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod molecule_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod eip_environment_types.mod cp_para_types.mod distribution_1d_types.mod base_hooks.mod particle_methods.mod distribution_methods.mod kinds.mod cp_subsys_methods.mod cell_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/eip_environment.F eip_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'embed_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/embed_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod molecule_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod embed_types.mod cp_para_types.mod distribution_1d_types.mod base_hooks.mod distribution_methods.mod kinds.mod cp_subsys_methods.mod cell_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/embed_environment.F embed_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_subsys_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atom_types.mod cp_subsys_types.mod qs_subsys_types.mod input_section_types.mod molecule_kind_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod cp_para_types.mod external_potential_types.mod base_hooks.mod kinds.mod cp_subsys_methods.mod cell_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_subsys_methods.F qs_subsys_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_types.mod atomic_kind_types.mod multipole_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_efield_types.mod molecule_kind_types.mod exclusion_types.mod cp_para_types.mod qmmm_types_low.mod fist_environment_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod fist_energy_types.mod ewald_environment_types.mod input_section_types.mod bibliography.mod ewald_pw_methods.mod distribution_methods.mod cell_methods.mod cp_log_handling.mod kinds.mod cp_subsys_methods.mod cp_output_handling.mod base_hooks.mod force_fields.mod particle_methods.mod cp_symmetry.mod header.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_environment.F fist_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod mixed_environment_types.mod molecule_types.mod atomic_kind_types.mod cell_types.mod particle_types.mod mixed_energy_types.mod cp_para_types.mod distribution_1d_types.mod base_hooks.mod distribution_methods.mod kinds.mod cp_subsys_methods.mod cell_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_environment.F mixed_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' eip_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' embed_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_subsys_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'nnp_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/nnp_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod cp_parser_types.mod atomic_kind_types.mod distribution_1d_types.mod nnp_environment_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod input_section_types.mod nnp_acsf.mod bibliography.mod cp_parser_methods.mod distribution_methods.mod cell_methods.mod cp_log_handling.mod nnp_model.mod kinds.mod cp_subsys_methods.mod base_hooks.mod periodic_table.mod particle_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/nnp_environment.F nnp_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_master.mod' due to: swarm_master.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_master.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod global_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod glbopt_master.mod cp_log_handling.mod swarm_message.mod input_constants.mod kinds.mod cp_external_control.mod cp_output_handling.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' nnp_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'embed_environment.mod' due to: embed_environment.o /build/reproducible-path/cp2k-2023.1/src/embed_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod molecule_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod embed_types.mod cp_para_types.mod distribution_1d_types.mod base_hooks.mod distribution_methods.mod kinds.mod cp_subsys_methods.mod cell_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'eip_environment.mod' due to: eip_environment.o /build/reproducible-path/cp2k-2023.1/src/eip_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod molecule_types.mod particle_types.mod atomic_kind_types.mod cell_types.mod eip_environment_types.mod cp_para_types.mod distribution_1d_types.mod base_hooks.mod particle_methods.mod distribution_methods.mod kinds.mod cp_subsys_methods.mod cell_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'embed_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/embed_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 embed_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod embed_environment.mod kinds.mod cp_files.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/embed_main.F embed_main.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_environment.mod' due to: mixed_environment.o /build/reproducible-path/cp2k-2023.1/src/mixed_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod molecule_kind_types.mod mixed_environment_types.mod molecule_types.mod atomic_kind_types.mod cell_types.mod particle_types.mod mixed_energy_types.mod cp_para_types.mod distribution_1d_types.mod base_hooks.mod distribution_methods.mod kinds.mod cp_subsys_methods.mod cell_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mixed_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/mixed_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_environment_types.mod cp_para_types.mod input_section_types.mod mixed_environment.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod kinds.mod cp_files.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mixed_main.F mixed_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' embed_main.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_subsys_methods.mod' due to: qs_subsys_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_subsys_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 basis_set_types.mod atom_types.mod cp_subsys_types.mod qs_subsys_types.mod input_section_types.mod molecule_kind_types.mod atomic_kind_types.mod cell_types.mod qs_kind_types.mod cp_para_types.mod external_potential_types.mod base_hooks.mod kinds.mod cp_subsys_methods.mod cell_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pwdft_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/pwdft_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod molecule_types.mod atomic_kind_types.mod distribution_1d_types.mod qs_energy_types.mod qs_kind_types.mod virial_types.mod molecule_kind_types.mod cp_para_types.mod pwdft_environment_types.mod particle_types.mod cell_types.mod input_section_types.mod distribution_methods.mod cp_log_handling.mod qs_subsys_methods.mod kinds.mod sirius_interface.mod base_hooks.mod particle_methods.mod machine.mod cp_symmetry.mod header.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pwdft_environment.F pwdft_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mixed_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pwdft_environment.F90 +/build/reproducible-path/cp2k-2023.1/src/embed_main.F:167:68: + + 167 | embed_env%sub_logger(i)%p%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/src/mixed_main.F:166:68: + + 166 | mixed_env%sub_logger(i)%p%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_environment.mod' due to: fist_environment.o /build/reproducible-path/cp2k-2023.1/src/fist_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod molecule_types.mod atomic_kind_types.mod multipole_types.mod distribution_1d_types.mod ewald_pw_types.mod fist_efield_types.mod molecule_kind_types.mod exclusion_types.mod cp_para_types.mod qmmm_types_low.mod fist_environment_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod fist_energy_types.mod ewald_environment_types.mod input_section_types.mod bibliography.mod ewald_pw_methods.mod distribution_methods.mod cell_methods.mod cp_log_handling.mod kinds.mod cp_subsys_methods.mod cp_output_handling.mod base_hooks.mod force_fields.mod particle_methods.mod cp_symmetry.mod header.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'embed_main.mod' due to: embed_main.o /build/reproducible-path/cp2k-2023.1/src/embed_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 embed_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod embed_environment.mod kinds.mod cp_files.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_main.mod' due to: mixed_main.o /build/reproducible-path/cp2k-2023.1/src/mixed_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_environment_types.mod cp_para_types.mod input_section_types.mod mixed_environment.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod kinds.mod cp_files.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pwdft_environment.mod' due to: pwdft_environment.o /build/reproducible-path/cp2k-2023.1/src/pwdft_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod pwdft_environment_types.mod qs_subsys_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_subsys_methods.mod particle_methods.mod machine.mod distribution_methods.mod cp_symmetry.mod sirius_interface.mod kinds.mod header.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pwdft_environment.mod' due to: pwdft_environment.o /build/reproducible-path/cp2k-2023.1/src/pwdft_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod molecule_types.mod atomic_kind_types.mod distribution_1d_types.mod qs_energy_types.mod qs_kind_types.mod virial_types.mod molecule_kind_types.mod cp_para_types.mod pwdft_environment_types.mod particle_types.mod cell_types.mod input_section_types.mod distribution_methods.mod cp_log_handling.mod qs_subsys_methods.mod kinds.mod sirius_interface.mod base_hooks.mod particle_methods.mod machine.mod cp_symmetry.mod header.mod true /build/reproducible-path/cp2k-2023.1/src/nnp_environment.F:780:68: @@ -61911,9 +61947,9 @@ 257 | unit_nr | ^ note: 'unit_nr' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_environment.mod' due to: nnp_environment.o /build/reproducible-path/cp2k-2023.1/src/nnp_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod nnp_environment_types.mod cell_types.mod particle_types.mod bibliography.mod cp_log_handling.mod particle_methods.mod distribution_methods.mod cp_parser_methods.mod periodic_table.mod kinds.mod cell_methods.mod nnp_acsf.mod cp_subsys_methods.mod nnp_model.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_cdft_methods.mod' due to: mixed_cdft_methods.o /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod input_section_types.mod qs_cdft_types.mod mixed_environment_types.mod cp_subsys_types.mod pw_pool_types.mod mixed_cdft_types.mod particle_types.mod cell_types.mod particle_list_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_array_utils.mod cp_dbcsr_operations.mod memory_utilities.mod mixed_cdft_utils.mod cp_units.mod pw_methods.mod mathlib.mod grid_api.mod util.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod cp_dbcsr_diag.mod machine.mod ao_util.mod hirshfeld_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mixed_cdft_methods.mod' due to: mixed_cdft_methods.o /build/reproducible-path/cp2k-2023.1/src/mixed_cdft_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 mixed_cdft_types.mod hirshfeld_types.mod qs_energy_types.mod qs_mo_types.mod cp_control_types.mod atomic_kind_types.mod mixed_environment_types.mod pw_env_types.mod cp_fm_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod qs_cdft_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod hirshfeld_methods.mod mixed_cdft_utils.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod machine.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod ao_util.mod cp_units.mod cp_dbcsr_diag.mod input_constants.mod kinds.mod cp_array_utils.mod qs_mo_methods.mod memory_utilities.mod cp_fm_basic_linalg.mod util.mod grid_api.mod message_passing.mod parallel_gemm_api.mod qs_mo_io.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'nnp_environment.mod' due to: nnp_environment.o /build/reproducible-path/cp2k-2023.1/src/nnp_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod cp_parser_types.mod atomic_kind_types.mod distribution_1d_types.mod nnp_environment_types.mod molecule_kind_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod input_section_types.mod nnp_acsf.mod bibliography.mod cp_parser_methods.mod distribution_methods.mod cell_methods.mod cp_log_handling.mod nnp_model.mod kinds.mod cp_subsys_methods.mod base_hooks.mod periodic_table.mod particle_methods.mod true /build/reproducible-path/cp2k-2023.1/src/hfx_ri.F:2391:55: @@ -61965,14 +62001,14 @@ 942 | TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: occupied_evals | ^ note: 'occupied_evals.data' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_ri.mod' due to: hfx_ri.o /build/reproducible-path/cp2k-2023.1/src/hfx_ri.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod hfx_types.mod qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod qs_integral_utils.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod machine.mod qs_loc_utils.mod cp_fm_struct.mod cp_dbcsr_operations.mod iterate_matrix.mod cp_dbcsr_diag.mod input_constants.mod input_cp2k_hfx.mod kinds.mod dbt_api.mod cp_array_utils.mod cp_blacs_env.mod util.mod message_passing.mod qs_loc_methods.mod cp_dbcsr_cholesky.mod arnoldi_api.mod qs_tensors.mod qs_interactions.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_ri.mod' due to: hfx_ri.o /build/reproducible-path/cp2k-2023.1/src/hfx_ri.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod basis_set_types.mod qs_loc_types.mod qs_kind_types.mod hfx_types.mod qs_mo_types.mod virial_types.mod input_section_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod qs_tensors_types.mod cp_fm_types.mod cp_array_utils.mod input_cp2k_hfx.mod qs_loc_utils.mod qs_loc_methods.mod cp_dbcsr_operations.mod arnoldi_api.mod cp_dbcsr_cholesky.mod qs_tensors.mod util.mod qs_interactions.mod dbt_api.mod message_passing.mod cp_log_handling.mod kinds.mod iterate_matrix.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod cp_dbcsr_diag.mod cp_blacs_env.mod machine.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_admm_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_dm_types.mod qs_energy_types.mod virial_types.mod qs_oce_types.mod qs_rho_types.mod hfx_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod paw_proj_set_types.mod pw_pool_types.mod distribution_1d_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod admm_types.mod kpoint_types.mod particle_types.mod distribution_2d_types.mod basis_set_container_types.mod pw_types.mod rt_propagation_types.mod hfx_ri.mod qs_oce_methods.mod cp_log_handling.mod admm_methods.mod qs_neighbor_lists.mod cp_fm_struct.mod cp_dbcsr_operations.mod xc_adiabatic_utils.mod qs_overlap.mod hfx_pw_methods.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_rho_methods.mod task_list_methods.mod cp_blacs_env.mod hfx_derivatives.mod hfx_energy_potential.mod qs_interactions.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'hfx_admm_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod qs_oce_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod hfx_types.mod qs_mo_types.mod task_list_types.mod external_potential_types.mod virial_types.mod input_section_types.mod admm_types.mod admm_dm_types.mod cp_para_types.mod paw_proj_set_types.mod pw_pool_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod qs_local_rho_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod rt_propagation_types.mod basis_set_container_types.mod cp_fm_types.mod qs_rho_methods.mod qs_oce_methods.mod cp_dbcsr_operations.mod hfx_pw_methods.mod hfx_ri.mod admm_methods.mod task_list_methods.mod qs_overlap.mod qs_interactions.mod cp_log_handling.mod hfx_derivatives.mod xc_adiabatic_utils.mod kinds.mod input_constants.mod qs_neighbor_lists.mod qs_rho_atom_methods.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod cp_blacs_env.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/hfx_admm_utils.F hfx_admm_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_fhxc_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod hfx_types.mod qs_rho_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod exstates_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod hartree_local_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_tddfpt2_types.mod task_list_types.mod input_section_types.mod ewald_pw_types.mod pw_pool_types.mod qs_kernel_types.mod qs_kind_types.mod cell_types.mod admm_types.mod cp_fm_pool_types.mod particle_types.mod pw_types.mod hfx_ri.mod qs_oce_methods.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod admm_methods.mod pw_methods.mod particle_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_overlap.mod qs_rho0_ggrid.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod qs_rho0_methods.mod mathconstants.mod qs_fxc.mod qs_collocate_density.mod util.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod message_passing.mod ewald_methods_tb.mod parallel_gemm_api.mod hfx_derivatives.mod cp_dbcsr_cp2k_link.mod qs_tddfpt2_stda_utils.mod hfx_energy_potential.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_fhxc_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_oce_types.mod qs_tddfpt2_stda_types.mod ewald_pw_types.mod exstates_types.mod qs_kind_types.mod hartree_local_types.mod hfx_types.mod pw_types.mod qs_tddfpt2_types.mod task_list_types.mod qs_kernel_types.mod virial_types.mod input_section_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod cp_fm_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod qs_rho0_ggrid.mod qs_oce_methods.mod cp_dbcsr_cp2k_link.mod qs_fxc.mod cp_dbcsr_operations.mod hfx_ri.mod qs_gapw_densities.mod admm_methods.mod qs_ks_atom.mod mathconstants.mod pw_methods.mod qs_overlap.mod util.mod message_passing.mod hartree_local_methods.mod qs_integrate_potential.mod cp_fm_basic_linalg.mod cp_log_handling.mod hfx_derivatives.mod kinds.mod qs_rho0_methods.mod input_constants.mod qs_tddfpt2_subgroups.mod qs_tddfpt2_stda_utils.mod ewald_methods_tb.mod qs_rho_atom_methods.mod hfx_energy_potential.mod qs_vxc_atom.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc_forces.F qs_tddfpt2_fhxc_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_admm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fhxc_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' hfx_admm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fhxc_forces.F90 /build/reproducible-path/cp2k-2023.1/src/hfx_admm_utils.F:979:31: 979 | energy%ex = ehfx + ehfxrt @@ -61983,14 +62019,14 @@ 735 | REAL(dp) :: eh1, ehfx, ehfxrt, eold | ^ note: 'ehfxrt' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_admm_utils.mod' due to: hfx_admm_utils.o /build/reproducible-path/cp2k-2023.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 admm_dm_types.mod qs_energy_types.mod virial_types.mod qs_oce_types.mod qs_rho_types.mod hfx_types.mod qs_mo_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod paw_proj_set_types.mod pw_pool_types.mod distribution_1d_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod cell_types.mod admm_types.mod kpoint_types.mod particle_types.mod distribution_2d_types.mod basis_set_container_types.mod pw_types.mod rt_propagation_types.mod hfx_ri.mod qs_oce_methods.mod cp_log_handling.mod admm_methods.mod qs_neighbor_lists.mod cp_fm_struct.mod cp_dbcsr_operations.mod xc_adiabatic_utils.mod qs_overlap.mod hfx_pw_methods.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_rho_methods.mod task_list_methods.mod cp_blacs_env.mod hfx_derivatives.mod hfx_energy_potential.mod qs_interactions.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'hfx_admm_utils.mod' due to: hfx_admm_utils.o /build/reproducible-path/cp2k-2023.1/src/hfx_admm_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod basis_set_types.mod qs_oce_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod hfx_types.mod qs_mo_types.mod task_list_types.mod external_potential_types.mod virial_types.mod input_section_types.mod admm_types.mod admm_dm_types.mod cp_para_types.mod paw_proj_set_types.mod pw_pool_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod qs_local_rho_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod rt_propagation_types.mod basis_set_container_types.mod cp_fm_types.mod qs_rho_methods.mod qs_oce_methods.mod cp_dbcsr_operations.mod hfx_pw_methods.mod hfx_ri.mod admm_methods.mod task_list_methods.mod qs_overlap.mod qs_interactions.mod cp_log_handling.mod hfx_derivatives.mod xc_adiabatic_utils.mod kinds.mod input_constants.mod qs_neighbor_lists.mod qs_rho_atom_methods.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rtp_admm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod task_list_types.mod input_section_types.mod qs_kind_types.mod admm_types.mod pw_types.mod rt_propagation_types.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod mathconstants.mod qs_collocate_density.mod cp_fm_basic_linalg.mod hfx_admm_utils.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rtp_admm_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod qs_rho_types.mod rt_propagation_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod mathconstants.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod hfx_admm_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rtp_admm_methods.F rtp_admm_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_operators.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_poisson_types.mod qs_local_rho_types.mod pw_env_types.mod cp_fm_types.mod hartree_local_types.mod qs_tddfpt2_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_kernel_types.mod xc_rho_set_types.mod admm_types.mod pw_types.mod xc.mod hartree_local_methods.mod pw_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod kinds.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod hfx_admm_utils.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_operators.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod xc_rho_set_types.mod cp_fm_types.mod hartree_local_types.mod pw_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod admm_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_rho0_ggrid.mod cp_dbcsr_operations.mod pw_methods.mod xc.mod hartree_local_methods.mod cp_fm_basic_linalg.mod kinds.mod qs_tddfpt2_subgroups.mod base_hooks.mod cp_fm_struct.mod hfx_admm_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_operators.F qs_tddfpt2_operators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rtp_admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_operators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rtp_admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_operators.F90 /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc_forces.F:485:30: 485 | IF (do_analytic .AND. .NOT. do_numeric) THEN @@ -62011,66 +62047,68 @@ 178 | LOGICAL :: distribute_fock_matrix, do_admm, do_analytic, do_hfx, do_numeric, gapw, gapw_xc, & | ^ note: 'do_analytic' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rtp_admm_methods.mod' due to: rtp_admm_methods.o /build/reproducible-path/cp2k-2023.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod task_list_types.mod input_section_types.mod qs_kind_types.mod admm_types.mod pw_types.mod rt_propagation_types.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod mathconstants.mod qs_collocate_density.mod cp_fm_basic_linalg.mod hfx_admm_utils.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rtp_admm_methods.mod' due to: rtp_admm_methods.o /build/reproducible-path/cp2k-2023.1/src/rtp_admm_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod task_list_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod qs_rho_types.mod rt_propagation_types.mod input_section_types.mod parallel_gemm_api.mod qs_collocate_density.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod mathconstants.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod hfx_admm_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_mo_types.mod pw_poisson_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod hartree_local_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod pw_pool_types.mod qs_charges_types.mod qs_cdft_types.mod cell_types.mod admm_types.mod pw_types.mod qs_efield_berry.mod qs_efield_local.mod qs_ks_apply_restraints.mod qs_sccs.mod cp_log_handling.mod admm_dm_methods.mod qs_gapw_densities.mod hartree_local_methods.mod admm_methods.mod dft_plus_u.mod cp_output_handling.mod qs_ks_qmmm_methods.mod pw_methods.mod kg_correction.mod cp_ddapc.mod qs_dftb_matrices.mod mathlib.mod cp_dbcsr_operations.mod qs_core_energies.mod qs_integrate_potential.mod qs_rho0_ggrid.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_vxc_atom.mod xtb_matrices.mod lri_environment_methods.mod pw_poisson_methods.mod surface_dipole.mod rtp_admm_methods.mod hfx_admm_utils.mod message_passing.mod qmmm_image_charge.mod se_fock_matrix.mod qs_ks_utils.mod cp_dbcsr_cp2k_link.mod base_hooks.mod efield_utils.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_energy_types.mod hartree_local_types.mod pw_types.mod qs_mo_types.mod qs_charges_types.mod virial_types.mod input_section_types.mod lri_environment_types.mod admm_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod cell_types.mod qs_rho_types.mod cp_fm_types.mod dft_plus_u.mod pw_poisson_methods.mod qs_rho0_ggrid.mod qs_efield_berry.mod xtb_matrices.mod cp_dbcsr_cp2k_link.mod qs_ks_utils.mod admm_dm_methods.mod qs_vxc.mod efield_utils.mod cp_dbcsr_operations.mod lri_environment_methods.mod qs_gapw_densities.mod admm_methods.mod se_fock_matrix.mod qs_ks_atom.mod qs_core_energies.mod qs_dftb_matrices.mod pw_methods.mod mathlib.mod surface_dipole.mod qmmm_image_charge.mod message_passing.mod hartree_local_methods.mod cp_ddapc.mod qs_integrate_potential.mod rtp_admm_methods.mod cp_log_handling.mod kinds.mod qs_sccs.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_vxc_atom.mod qs_efield_local.mod qs_ks_qmmm_methods.mod hfx_admm_utils.mod qs_ks_apply_restraints.mod kg_correction.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_methods.F qs_ks_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_operators.mod' due to: qs_tddfpt2_operators.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_poisson_types.mod qs_local_rho_types.mod pw_env_types.mod cp_fm_types.mod hartree_local_types.mod qs_tddfpt2_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod qs_kernel_types.mod xc_rho_set_types.mod admm_types.mod pw_types.mod xc.mod hartree_local_methods.mod pw_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod kinds.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod hfx_admm_utils.mod parallel_gemm_api.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_operators.mod' due to: qs_tddfpt2_operators.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_operators.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod xc_rho_set_types.mod cp_fm_types.mod hartree_local_types.mod pw_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod admm_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_rho0_ggrid.mod cp_dbcsr_operations.mod pw_methods.mod xc.mod hartree_local_methods.mod cp_fm_basic_linalg.mod kinds.mod qs_tddfpt2_subgroups.mod base_hooks.mod cp_fm_struct.mod hfx_admm_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_fhxc.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod qs_tddfpt2_types.mod qs_environment_types.mod lri_environment_types.mod task_list_types.mod qs_rho_atom_types.mod pw_pool_types.mod qs_kernel_types.mod admm_types.mod pw_types.mod qs_gapw_densities.mod qs_tddfpt2_lri_utils.mod pw_methods.mod qs_tddfpt2_subgroups.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_vxc_atom.mod qs_tddfpt2_densities.mod qs_tddfpt2_operators.mod message_passing.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod qs_tddfpt2_stda_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_fhxc.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod task_list_types.mod pw_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod lri_environment_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod qs_rho_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_rho_methods.mod cp_dbcsr_cp2k_link.mod qs_tddfpt2_operators.mod cp_dbcsr_operations.mod qs_gapw_densities.mod qs_tddfpt2_densities.mod qs_ks_atom.mod qs_tddfpt2_lri_utils.mod pw_methods.mod message_passing.mod qs_integrate_potential.mod kinds.mod qs_tddfpt2_subgroups.mod input_constants.mod qs_tddfpt2_stda_utils.mod base_hooks.mod qs_vxc_atom.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc.F qs_tddfpt2_fhxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:36 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fhxc.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_fhxc_forces.mod' due to: qs_tddfpt2_fhxc_forces.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod hfx_types.mod qs_rho_types.mod pw_poisson_types.mod atprop_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod exstates_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod hartree_local_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_tddfpt2_types.mod task_list_types.mod input_section_types.mod ewald_pw_types.mod pw_pool_types.mod qs_kernel_types.mod qs_kind_types.mod cell_types.mod admm_types.mod cp_fm_pool_types.mod particle_types.mod pw_types.mod hfx_ri.mod qs_oce_methods.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod admm_methods.mod pw_methods.mod particle_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_overlap.mod qs_rho0_ggrid.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod qs_rho0_methods.mod mathconstants.mod qs_fxc.mod qs_collocate_density.mod util.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod message_passing.mod ewald_methods_tb.mod parallel_gemm_api.mod hfx_derivatives.mod cp_dbcsr_cp2k_link.mod qs_tddfpt2_stda_utils.mod hfx_energy_potential.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fhxc.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_fhxc_forces.mod' due to: qs_tddfpt2_fhxc_forces.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod cp_control_types.mod qs_oce_types.mod qs_tddfpt2_stda_types.mod ewald_pw_types.mod exstates_types.mod qs_kind_types.mod hartree_local_types.mod hfx_types.mod pw_types.mod qs_tddfpt2_types.mod task_list_types.mod qs_kernel_types.mod virial_types.mod input_section_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod particle_types.mod cell_types.mod qs_rho_types.mod atprop_types.mod ewald_environment_types.mod cp_fm_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod qs_rho0_ggrid.mod qs_oce_methods.mod cp_dbcsr_cp2k_link.mod qs_fxc.mod cp_dbcsr_operations.mod hfx_ri.mod qs_gapw_densities.mod admm_methods.mod qs_ks_atom.mod mathconstants.mod pw_methods.mod qs_overlap.mod util.mod message_passing.mod hartree_local_methods.mod qs_integrate_potential.mod cp_fm_basic_linalg.mod cp_log_handling.mod hfx_derivatives.mod kinds.mod qs_rho0_methods.mod input_constants.mod qs_tddfpt2_subgroups.mod qs_tddfpt2_stda_utils.mod ewald_methods_tb.mod qs_rho_atom_methods.mod hfx_energy_potential.mod qs_vxc_atom.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_fhxc.mod' due to: qs_tddfpt2_fhxc.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod qs_tddfpt2_types.mod qs_environment_types.mod lri_environment_types.mod task_list_types.mod qs_rho_atom_types.mod pw_pool_types.mod qs_kernel_types.mod admm_types.mod pw_types.mod qs_gapw_densities.mod qs_tddfpt2_lri_utils.mod pw_methods.mod qs_tddfpt2_subgroups.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_vxc_atom.mod qs_tddfpt2_densities.mod qs_tddfpt2_operators.mod message_passing.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod qs_tddfpt2_stda_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_fhxc.mod' due to: qs_tddfpt2_fhxc.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fhxc.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod task_list_types.mod pw_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod lri_environment_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod qs_rho_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_rho_methods.mod cp_dbcsr_cp2k_link.mod qs_tddfpt2_operators.mod cp_dbcsr_operations.mod qs_gapw_densities.mod qs_tddfpt2_densities.mod qs_ks_atom.mod qs_tddfpt2_lri_utils.mod pw_methods.mod message_passing.mod qs_integrate_potential.mod kinds.mod qs_tddfpt2_subgroups.mod input_constants.mod qs_tddfpt2_stda_utils.mod base_hooks.mod qs_vxc_atom.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_methods.mod' due to: qs_ks_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_mo_types.mod pw_poisson_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod hartree_local_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod pw_pool_types.mod qs_charges_types.mod qs_cdft_types.mod cell_types.mod admm_types.mod pw_types.mod qs_efield_berry.mod qs_efield_local.mod qs_ks_apply_restraints.mod qs_sccs.mod cp_log_handling.mod admm_dm_methods.mod qs_gapw_densities.mod hartree_local_methods.mod admm_methods.mod dft_plus_u.mod cp_output_handling.mod qs_ks_qmmm_methods.mod pw_methods.mod kg_correction.mod cp_ddapc.mod qs_dftb_matrices.mod mathlib.mod cp_dbcsr_operations.mod qs_core_energies.mod qs_integrate_potential.mod qs_rho0_ggrid.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_vxc_atom.mod xtb_matrices.mod lri_environment_methods.mod pw_poisson_methods.mod surface_dipole.mod rtp_admm_methods.mod hfx_admm_utils.mod message_passing.mod qmmm_image_charge.mod se_fock_matrix.mod qs_ks_utils.mod cp_dbcsr_cp2k_link.mod base_hooks.mod efield_utils.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_methods.mod' due to: qs_ks_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_energy_types.mod hartree_local_types.mod pw_types.mod qs_mo_types.mod qs_charges_types.mod virial_types.mod input_section_types.mod lri_environment_types.mod admm_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod cell_types.mod qs_rho_types.mod cp_fm_types.mod dft_plus_u.mod pw_poisson_methods.mod qs_rho0_ggrid.mod qs_efield_berry.mod xtb_matrices.mod cp_dbcsr_cp2k_link.mod qs_ks_utils.mod admm_dm_methods.mod qs_vxc.mod efield_utils.mod cp_dbcsr_operations.mod lri_environment_methods.mod qs_gapw_densities.mod admm_methods.mod se_fock_matrix.mod qs_ks_atom.mod qs_core_energies.mod qs_dftb_matrices.mod pw_methods.mod mathlib.mod surface_dipole.mod qmmm_image_charge.mod message_passing.mod hartree_local_methods.mod cp_ddapc.mod qs_integrate_potential.mod rtp_admm_methods.mod cp_log_handling.mod kinds.mod qs_sccs.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_vxc_atom.mod qs_efield_local.mod qs_ks_qmmm_methods.mod hfx_admm_utils.mod qs_ks_apply_restraints.mod kg_correction.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_diagonalization.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_cfm_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod qs_rho_atom_types.mod cp_fm_pool_types.mod kpoint_types.mod qs_density_mixing_types.mod qs_diis.mod cp_fm_cholesky.mod qs_gspace_mixing.mod qs_scf_lanczos.mod cp_log_handling.mod cp_output_handling.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_mixing_utils.mod preconditioner.mod input_constants.mod kinds.mod qs_rho_methods.mod cp_fm_diag.mod cp_array_utils.mod qs_mo_methods.mod qs_scf_methods.mod cp_cfm_diag.mod qs_ot_eigensolver.mod kpoint_methods.mod cp_fm_basic_linalg.mod qs_density_matrices.mod qs_ks_methods.mod parallel_gemm_api.mod qs_matrix_pools.mod qs_scf_block_davidson.mod qs_mo_occupation.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_diagonalization.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_pool_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod qs_density_mixing_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_matrix_pools.mod qs_rho_methods.mod cp_fm_cholesky.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod qs_scf_methods.mod cp_cfm_basic_linalg.mod qs_scf_block_davidson.mod qs_ot_eigensolver.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_occupation.mod cp_output_handling.mod base_hooks.mod preconditioner.mod cp_fm_struct.mod qs_density_matrices.mod qs_scf_lanczos.mod kpoint_methods.mod machine.mod cp_fm_diag.mod qs_mixing_utils.mod qs_ks_methods.mod qs_diis.mod qs_gspace_mixing.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_diagonalization.F qs_scf_diagonalization.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_basis_gradient.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod particle_types.mod cp_log_handling.mod qs_neighbor_lists.mod cp_dbcsr_operations.mod qs_energy_matrix_w.mod qs_mixing_utils.mod kinds.mod qs_update_s_mstruct.mod qs_rho_methods.mod qs_mo_methods.mod qs_core_hamiltonian.mod qs_density_matrices.mod qs_ks_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_basis_gradient.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod qs_rho_methods.mod cp_dbcsr_operations.mod qs_energy_matrix_w.mod qs_core_hamiltonian.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod qs_update_s_mstruct.mod qs_neighbor_lists.mod base_hooks.mod qs_density_matrices.mod qs_mixing_utils.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_basis_gradient.F qs_basis_gradient.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kpp1_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod xc_derivative_set_types.mod qs_p_env_types.mod pw_env_types.mod qs_kpp1_env_types.mod lri_environment_types.mod qs_environment_types.mod input_section_types.mod qs_rho_atom_types.mod pw_pool_types.mod xc_rho_set_types.mod admm_types.mod pw_types.mod xc.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod cp_output_handling.mod pw_methods.mod lri_ks_methods.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_rho0_ggrid.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_vxc_atom.mod pw_poisson_methods.mod qs_ks_methods.mod message_passing.mod kahan_sum.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_diagonalization.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_kpp1_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kpp1_env_types.mod qs_energy_types.mod pw_types.mod lri_environment_types.mod admm_types.mod cp_para_types.mod qs_p_env_types.mod pw_pool_types.mod pw_poisson_types.mod xc_derivative_set_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod qs_rho0_ggrid.mod lri_ks_methods.mod cp_dbcsr_operations.mod qs_gapw_densities.mod qs_ks_atom.mod pw_methods.mod xc.mod message_passing.mod hartree_local_methods.mod qs_integrate_potential.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_vxc_atom.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_active_space_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_loc_types.mod qs_mo_types.mod pw_poisson_types.mod qs_active_space_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod preconditioner_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod cp_external_control.mod pw_methods.mod cp_files.mod machine.mod cp_fm_struct.mod qs_loc_utils.mod cp_dbcsr_operations.mod pw_env_methods.mod periodic_table.mod input_constants.mod kinds.mod qs_rho_methods.mod cp_fm_diag.mod qs_mo_methods.mod task_list_methods.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod memory_utilities.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod qs_density_matrices.mod qs_ot_eigensolver.mod qs_ks_methods.mod cp_fm_vect.mod message_passing.mod qs_loc_methods.mod parallel_gemm_api.mod qs_mo_io.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_active_space_methods.F qs_active_space_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_electric_field_gradient.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod paw_proj_set_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod pw_types.mod cp_log_handling.mod qs_gapw_densities.mod physcon.mod cp_output_handling.mod pw_methods.mod kinds.mod pw_spline_utils.mod mathconstants.mod qs_harmonics_atom.mod eigenvalueproblems.mod pw_poisson_methods.mod util.mod qs_ks_methods.mod message_passing.mod orbital_pointers.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_basis_gradient.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_reference.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_reference.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod hartree_local_types.mod pw_types.mod virial_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod pw_poisson_methods.mod qs_rho0_ggrid.mod qs_vxc.mod qs_gapw_densities.mod qs_core_energies.mod pw_methods.mod hartree_local_methods.mod kinds.mod qs_rho0_methods.mod input_constants.mod qs_rho_atom_methods.mod qs_vxc_atom.mod base_hooks.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_reference.F qs_ks_reference.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_electric_field_gradient.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho_atom_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod paw_proj_set_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod qs_harmonics_atom.mod qs_gapw_densities.mod mathconstants.mod pw_methods.mod util.mod eigenvalueproblems.mod pw_spline_utils.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_gcp_types.mod qs_dispersion_types.mod cp_control_types.mod cp_para_types.mod molecule_types.mod kg_environment_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod kpoint_types.mod se_core_core.mod qs_dftb_matrices.mod qs_neighbor_lists.mod cp_dbcsr_operations.mod qs_core_energies.mod optimize_embedding_potential.mod qs_dftb_dispersion.mod input_constants.mod kinds.mod qs_external_potential.mod qs_update_s_mstruct.mod xtb_matrices.mod lri_environment_methods.mod kg_environment.mod qs_core_hamiltonian.mod ri_environment_methods.mod kpoint_methods.mod qs_external_density.mod qs_dispersion_pairpot.mod qs_ks_methods.mod se_core_matrix.mod qs_gcp_method.mod base_hooks.mod efield_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy_init.F qs_energy_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_local_properties.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_local_properties.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod pw_types.mod bibliography.mod cp_log_handling.mod pw_methods.mod mathlib.mod cp_dbcsr_operations.mod qs_core_energies.mod qs_energy_matrix_w.mod kinds.mod qs_collocate_density.mod qs_ks_methods.mod base_hooks.mod qs_vxc.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_reference.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_reference.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_active_space_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod qs_loc_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod task_list_types.mod input_section_types.mod preconditioner_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod scf_control_types.mod qs_active_space_types.mod cp_fm_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod qs_rho_methods.mod qs_loc_utils.mod qs_loc_methods.mod cp_external_control.mod cp_dbcsr_operations.mod cp_files.mod memory_utilities.mod task_list_methods.mod mathconstants.mod qs_ot_eigensolver.mod pw_methods.mod cp_fm_vect.mod pw_env_methods.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod cp_output_handling.mod base_hooks.mod periodic_table.mod cp_fm_struct.mod cp_realspace_grid_cube.mod qs_density_matrices.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_active_space_methods.F qs_active_space_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_electric_field_gradient.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_local_properties.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_local_properties.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod virial_types.mod pw_pool_types.mod qs_rho_types.mod input_section_types.mod qs_collocate_density.mod qs_vxc.mod cp_dbcsr_operations.mod bibliography.mod qs_energy_matrix_w.mod qs_core_energies.mod pw_methods.mod mathlib.mod cp_log_handling.mod kinds.mod base_hooks.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_local_properties.F qs_local_properties.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_ks_reference.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_ks_reference.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod hartree_local_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod admm_types.mod pw_types.mod qs_gapw_densities.mod hartree_local_methods.mod pw_methods.mod qs_core_energies.mod qs_rho0_ggrid.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod qs_rho0_methods.mod pw_poisson_methods.mod qs_ks_methods.mod base_hooks.mod qs_vxc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_ks_reference.F qs_ks_reference.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_diagonalization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_basis_gradient.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_post_se.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod particle_list_types.mod semi_empirical_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_scf_output.mod physcon.mod cp_output_handling.mod cp_dbcsr_output.mod kinds.mod cp_result_methods.mod ai_moments.mod mathconstants.mod qs_ks_methods.mod message_passing.mod orbital_pointers.mod moments_utils.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_active_space_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_dispersion_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_energy_types.mod qs_gcp_types.mod lri_environment_types.mod cp_para_types.mod kg_environment_types.mod kpoint_types.mod input_section_types.mod ri_environment_methods.mod xtb_matrices.mod se_core_matrix.mod cp_dbcsr_operations.mod efield_utils.mod lri_environment_methods.mod se_core_core.mod qs_core_energies.mod qs_core_hamiltonian.mod optimize_embedding_potential.mod qs_dftb_matrices.mod qs_gcp_method.mod qs_external_density.mod kinds.mod qs_update_s_mstruct.mod input_constants.mod qs_neighbor_lists.mod qs_dftb_dispersion.mod base_hooks.mod qs_external_potential.mod kpoint_methods.mod kg_environment.mod qs_ks_methods.mod qs_dispersion_pairpot.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy_init.F qs_energy_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:41:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_local_properties.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_post_se.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod semi_empirical_types.mod cp_result_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod moments_utils.mod cp_result_methods.mod mathconstants.mod ai_moments.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod orbital_pointers.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod cp_dbcsr_output.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_se.F qs_scf_post_se.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_active_space_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_electric_field_gradient.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_local_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_reference.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_ks_reference.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_qs.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod almo_scf_types.mod qs_mo_types.mod cp_control_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_ks_methods.mod message_passing.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_init.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_qs.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod qs_scf_types.mod almo_scf_types.mod particle_types.mod cell_types.mod qs_rho_types.mod cp_fm_types.mod qs_rho_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod cp_units.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_qs.F almo_scf_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_post_se.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_correction.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod xas_tdp_types.mod admm_types.mod bibliography.mod cp_log_handling.mod physcon.mod machine.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod xas_tdp_kernel.mod admm_utils.mod kinds.mod dbt_api.mod cp_fm_diag.mod cp_array_utils.mod cp_blacs_env.mod util.mod qs_ks_methods.mod hfx_admm_utils.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_correction.F xas_tdp_correction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_qs.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_epr_nablavks.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_rho_atom_types.mod qs_kind_types.mod particle_list_types.mod external_potential_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod cp_output_handling.mod pw_methods.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod pw_poisson_methods.mod util.mod qs_ks_methods.mod base_hooks.mod cp_realspace_grid_cube.mod qs_vxc.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_post_se.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_epr_nablavks.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod qs_linres_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod pw_types.mod external_potential_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod qs_vxc.mod qs_harmonics_atom.mod qs_gapw_densities.mod mathconstants.mod pw_methods.mod util.mod hartree_local_methods.mod cp_log_handling.mod kinds.mod cp_output_handling.mod qs_rho_atom_methods.mod qs_vxc_atom.mod base_hooks.mod cp_realspace_grid_cube.mod qs_grid_atom.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_correction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:41 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_epr_nablavks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_qs.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_correction.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod xas_tdp_types.mod input_section_types.mod parallel_gemm_api.mod cp_array_utils.mod cp_dbcsr_operations.mod bibliography.mod xas_tdp_kernel.mod mathlib.mod util.mod dbt_api.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod base_hooks.mod cp_fm_struct.mod machine.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod hfx_admm_utils.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_correction.F xas_tdp_correction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_epr_nablavks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_correction.F90 /build/reproducible-path/cp2k-2023.1/src/qs_electric_field_gradient.F:106:66: 106 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: efg_pw, efg_tensor | ^ Warning: 'efg_pw.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_local_properties.mod' due to: qs_local_properties.o /build/reproducible-path/cp2k-2023.1/src/qs_local_properties.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod pw_types.mod bibliography.mod cp_log_handling.mod pw_methods.mod mathlib.mod cp_dbcsr_operations.mod qs_core_energies.mod qs_energy_matrix_w.mod kinds.mod qs_collocate_density.mod qs_ks_methods.mod base_hooks.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_local_properties.mod' due to: qs_local_properties.o /build/reproducible-path/cp2k-2023.1/src/qs_local_properties.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod virial_types.mod pw_pool_types.mod qs_rho_types.mod input_section_types.mod qs_collocate_density.mod qs_vxc.mod cp_dbcsr_operations.mod bibliography.mod qs_energy_matrix_w.mod qs_core_energies.mod pw_methods.mod mathlib.mod cp_log_handling.mod kinds.mod base_hooks.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_basis_gradient.mod' due to: qs_basis_gradient.o /build/reproducible-path/cp2k-2023.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod particle_types.mod cp_log_handling.mod qs_neighbor_lists.mod cp_dbcsr_operations.mod qs_energy_matrix_w.mod qs_mixing_utils.mod kinds.mod qs_update_s_mstruct.mod qs_rho_methods.mod qs_mo_methods.mod qs_core_hamiltonian.mod qs_density_matrices.mod qs_ks_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_reference.mod' due to: qs_ks_reference.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_reference.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod hartree_local_types.mod pw_types.mod virial_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod qs_rho_types.mod pw_grid_types.mod input_section_types.mod pw_poisson_methods.mod qs_rho0_ggrid.mod qs_vxc.mod qs_gapw_densities.mod qs_core_energies.mod pw_methods.mod hartree_local_methods.mod kinds.mod qs_rho0_methods.mod input_constants.mod qs_rho_atom_methods.mod qs_vxc_atom.mod base_hooks.mod qs_ks_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_basis_gradient.mod' due to: qs_basis_gradient.o /build/reproducible-path/cp2k-2023.1/src/qs_basis_gradient.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod qs_rho_methods.mod cp_dbcsr_operations.mod qs_energy_matrix_w.mod qs_core_hamiltonian.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod qs_update_s_mstruct.mod qs_neighbor_lists.mod base_hooks.mod qs_density_matrices.mod qs_mixing_utils.mod qs_ks_methods.mod true /build/reproducible-path/cp2k-2023.1/src/almo_scf_qs.F:250:47: @@ -62082,17 +62120,17 @@ 131 | nblkrows_tot, nlength, nmols, row | ^ note: 'nlength' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_outer_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod qs_cdft_types.mod qs_cdft_opt_types.mod qs_energy_types.mod scf_control_types.mod qs_environment_types.mod cp_control_types.mod mathlib.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod qs_basis_gradient.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F qs_outer_scf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_ks_reference.mod' due to: qs_ks_reference.o /build/reproducible-path/cp2k-2023.1/src/qs_ks_reference.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod qs_oce_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod hartree_local_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod qs_kind_types.mod admm_types.mod pw_types.mod qs_gapw_densities.mod hartree_local_methods.mod pw_methods.mod qs_core_energies.mod qs_rho0_ggrid.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod qs_rho0_methods.mod pw_poisson_methods.mod qs_ks_methods.mod base_hooks.mod qs_vxc.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_outer_scf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_hfx.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_hfx.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod qs_environment_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod admm_types.mod pw_types.mod hfx_ri.mod admm_methods.mod pw_methods.mod machine.mod cp_dbcsr_operations.mod qs_integrate_potential.mod input_constants.mod kinds.mod qs_ks_reference.mod hfx_admm_utils.mod parallel_gemm_api.mod hfx_derivatives.mod hfx_energy_potential.mod base_hooks.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_hfx.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_hfx.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod task_list_types.mod pw_types.mod virial_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod qs_vxc.mod cp_dbcsr_operations.mod hfx_ri.mod admm_methods.mod pw_methods.mod qs_integrate_potential.mod hfx_derivatives.mod kinds.mod input_constants.mod qs_ks_reference.mod base_hooks.mod hfx_energy_potential.mod machine.mod hfx_admm_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_hfx.F rpa_hfx.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod hfx_types.mod qs_mo_types.mod pw_poisson_types.mod qs_rho_types.mod xtb_types.mod cp_control_types.mod cp_para_types.mod exstates_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod hartree_local_types.mod qs_tddfpt2_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod qs_kernel_types.mod qs_rho_atom_types.mod qs_kind_types.mod admm_types.mod particle_types.mod pw_types.mod hfx_ri.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod pw_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_overlap.mod qs_rho0_ggrid.mod xtb_ehess.mod qs_tddfpt2_fhxc_forces.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod qs_rho0_methods.mod qs_ks_reference.mod qs_fxc.mod qs_collocate_density.mod qs_density_matrices.mod pw_poisson_methods.mod message_passing.mod parallel_gemm_api.mod mulliken.mod cp_dbcsr_cp2k_link.mod hfx_energy_potential.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_forces.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_forces.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_force_types.mod qs_rho0_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_oce_types.mod exstates_types.mod qs_kind_types.mod hartree_local_types.mod hfx_types.mod pw_types.mod qs_mo_types.mod qs_tddfpt2_types.mod task_list_types.mod qs_kernel_types.mod admm_types.mod xtb_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod qs_rho0_ggrid.mod mulliken.mod cp_dbcsr_cp2k_link.mod xtb_ehess.mod qs_fxc.mod cp_dbcsr_operations.mod hfx_ri.mod qs_gapw_densities.mod qs_tddfpt2_fhxc_forces.mod qs_ks_atom.mod qs_overlap.mod pw_methods.mod message_passing.mod hartree_local_methods.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod qs_rho0_methods.mod input_constants.mod qs_tddfpt2_subgroups.mod qs_ks_reference.mod qs_rho_atom_methods.mod qs_vxc_atom.mod hfx_energy_potential.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_forces.F qs_tddfpt2_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_hfx.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_hfx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_forces.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_hfx.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_hfx.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_outer_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_environment_types.mod qs_scf_types.mod qs_cdft_types.mod scf_control_types.mod qs_cdft_opt_types.mod cp_control_types.mod base_hooks.mod qs_basis_gradient.mod cp_log_handling.mod kinds.mod input_constants.mod mathlib.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F qs_outer_scf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_electric_field_gradient.mod' due to: qs_electric_field_gradient.o /build/reproducible-path/cp2k-2023.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho_atom_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod cp_para_types.mod paw_proj_set_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod qs_harmonics_atom.mod qs_gapw_densities.mod mathconstants.mod pw_methods.mod util.mod eigenvalueproblems.mod pw_spline_utils.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod qs_ks_methods.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_outer_scf.F90 /build/reproducible-path/cp2k-2023.1/src/almo_scf_qs.F:1197:22: 1197 | IF (overlap .EQ. 0.0_dp) THEN @@ -62133,26 +62171,23 @@ 850 | INTEGER :: col, contact_atom_1, contact_atom_2, domain_col, domain_map_local_entries, & | ^ note: 'contact_atom_1' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_electric_field_gradient.mod' due to: qs_electric_field_gradient.o /build/reproducible-path/cp2k-2023.1/src/qs_electric_field_gradient.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod paw_proj_set_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod pw_types.mod cp_log_handling.mod qs_gapw_densities.mod physcon.mod cp_output_handling.mod pw_methods.mod kinds.mod pw_spline_utils.mod mathconstants.mod qs_harmonics_atom.mod eigenvalueproblems.mod pw_poisson_methods.mod util.mod qs_ks_methods.mod message_passing.mod orbital_pointers.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_post_se.mod' due to: qs_scf_post_se.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod particle_list_types.mod semi_empirical_types.mod basis_set_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_scf_output.mod physcon.mod cp_output_handling.mod cp_dbcsr_output.mod kinds.mod cp_result_methods.mod ai_moments.mod mathconstants.mod qs_ks_methods.mod message_passing.mod orbital_pointers.mod moments_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_post_se.mod' due to: qs_scf_post_se.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_se.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod semi_empirical_types.mod cp_result_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod moments_utils.mod cp_result_methods.mod mathconstants.mod ai_moments.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod orbital_pointers.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod cp_dbcsr_output.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_init.mod' due to: qs_energy_init.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_gcp_types.mod qs_dispersion_types.mod cp_control_types.mod cp_para_types.mod molecule_types.mod kg_environment_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod kpoint_types.mod se_core_core.mod qs_dftb_matrices.mod qs_neighbor_lists.mod cp_dbcsr_operations.mod qs_core_energies.mod optimize_embedding_potential.mod qs_dftb_dispersion.mod input_constants.mod kinds.mod qs_external_potential.mod qs_update_s_mstruct.mod xtb_matrices.mod lri_environment_methods.mod kg_environment.mod qs_core_hamiltonian.mod ri_environment_methods.mod kpoint_methods.mod qs_external_density.mod qs_dispersion_pairpot.mod qs_ks_methods.mod se_core_matrix.mod qs_gcp_method.mod base_hooks.mod efield_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kpp1_env_methods.mod' due to: qs_kpp1_env_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kpp1_env_types.mod qs_energy_types.mod pw_types.mod lri_environment_types.mod admm_types.mod cp_para_types.mod qs_p_env_types.mod pw_pool_types.mod pw_poisson_types.mod xc_derivative_set_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod qs_rho0_ggrid.mod lri_ks_methods.mod cp_dbcsr_operations.mod qs_gapw_densities.mod qs_ks_atom.mod pw_methods.mod xc.mod message_passing.mod hartree_local_methods.mod qs_integrate_potential.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_vxc_atom.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optbas_fenv_manipulation.o' due to: /build/reproducible-path/cp2k-2023.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod optimize_basis_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cp_fm_pool_types.mod particle_types.mod basis_set_container_types.mod cp_fm_cholesky.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod kinds.mod qs_rho_methods.mod cp_blacs_env.mod qs_density_matrices.mod cp_fm_basic_linalg.mod qs_energy_init.mod qs_ks_methods.mod qs_matrix_pools.mod qs_mo_io.mod base_hooks.mod qs_interactions.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optbas_fenv_manipulation.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_diagonalization.mod' due to: qs_scf_diagonalization.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_cfm_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod qs_rho_atom_types.mod cp_fm_pool_types.mod kpoint_types.mod qs_density_mixing_types.mod qs_diis.mod cp_fm_cholesky.mod qs_gspace_mixing.mod qs_scf_lanczos.mod cp_log_handling.mod cp_output_handling.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_mixing_utils.mod preconditioner.mod input_constants.mod kinds.mod qs_rho_methods.mod cp_fm_diag.mod cp_array_utils.mod qs_mo_methods.mod qs_scf_methods.mod cp_cfm_diag.mod qs_ot_eigensolver.mod kpoint_methods.mod cp_fm_basic_linalg.mod qs_density_matrices.mod qs_ks_methods.mod parallel_gemm_api.mod qs_matrix_pools.mod qs_scf_block_davidson.mod qs_mo_occupation.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_p_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_linres_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod hartree_local_types.mod pw_types.mod qs_mo_types.mod task_list_types.mod input_section_types.mod preconditioner_types.mod admm_types.mod cp_para_types.mod qs_p_env_types.mod qs_local_rho_types.mod qs_rho_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_collocate_density.mod qs_matrix_pools.mod cp_fm_cholesky.mod qs_rho0_ggrid.mod qs_rho_methods.mod cp_dbcsr_operations.mod admm_methods.mod string_utilities.mod qs_kpp1_env_methods.mod cp_fm_vect.mod hartree_local_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_rho0_methods.mod input_constants.mod cp_output_handling.mod qs_rho_atom_methods.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_p_env_methods.F qs_p_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_diagonalization.mod' due to: qs_scf_diagonalization.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_diagonalization.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_pool_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod qs_density_mixing_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_matrix_pools.mod qs_rho_methods.mod cp_fm_cholesky.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod qs_scf_methods.mod cp_cfm_basic_linalg.mod qs_scf_block_davidson.mod qs_ot_eigensolver.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_occupation.mod cp_output_handling.mod base_hooks.mod preconditioner.mod cp_fm_struct.mod qs_density_matrices.mod qs_scf_lanczos.mod kpoint_methods.mod machine.mod cp_fm_diag.mod qs_mixing_utils.mod qs_ks_methods.mod qs_diis.mod qs_gspace_mixing.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_epr_nablavks.mod' due to: qs_linres_epr_nablavks.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_rho_atom_types.mod qs_kind_types.mod particle_list_types.mod external_potential_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod cp_output_handling.mod pw_methods.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod mathconstants.mod qs_grid_atom.mod qs_harmonics_atom.mod pw_poisson_methods.mod util.mod qs_ks_methods.mod base_hooks.mod cp_realspace_grid_cube.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_init.mod' due to: qs_energy_init.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_dispersion_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_energy_types.mod qs_gcp_types.mod lri_environment_types.mod cp_para_types.mod kg_environment_types.mod kpoint_types.mod input_section_types.mod ri_environment_methods.mod xtb_matrices.mod se_core_matrix.mod cp_dbcsr_operations.mod efield_utils.mod lri_environment_methods.mod se_core_core.mod qs_core_energies.mod qs_core_hamiltonian.mod optimize_embedding_potential.mod qs_dftb_matrices.mod qs_gcp_method.mod qs_external_density.mod kinds.mod qs_update_s_mstruct.mod input_constants.mod qs_neighbor_lists.mod qs_dftb_dispersion.mod base_hooks.mod qs_external_potential.mod kpoint_methods.mod kg_environment.mod qs_ks_methods.mod qs_dispersion_pairpot.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mom_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_fm_types.mod qs_scf_types.mod input_section_types.mod bibliography.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_blacs_env.mod qs_density_matrices.mod cp_fm_basic_linalg.mod util.mod parallel_gemm_api.mod qs_scf_diagonalization.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_p_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_mom_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod qs_scf_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_scf_diagonalization.mod cp_dbcsr_operations.mod bibliography.mod string_utilities.mod util.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod cp_blacs_env.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_mom_methods.F qs_mom_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mom_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_kpp1_env_methods.mod' due to: qs_kpp1_env_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_kpp1_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod xc_derivative_set_types.mod qs_p_env_types.mod pw_env_types.mod qs_kpp1_env_types.mod lri_environment_types.mod qs_environment_types.mod input_section_types.mod qs_rho_atom_types.mod pw_pool_types.mod xc_rho_set_types.mod admm_types.mod pw_types.mod xc.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod cp_output_handling.mod pw_methods.mod lri_ks_methods.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_rho0_ggrid.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_vxc_atom.mod pw_poisson_methods.mod qs_ks_methods.mod message_passing.mod kahan_sum.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_p_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod hartree_local_types.mod preconditioner_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod qs_kind_types.mod admm_types.mod cp_fm_pool_types.mod pw_types.mod cp_fm_cholesky.mod cp_log_handling.mod hartree_local_methods.mod admm_methods.mod cp_output_handling.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_rho_methods.mod qs_rho0_methods.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod qs_ks_methods.mod cp_fm_vect.mod parallel_gemm_api.mod qs_kpp1_env_methods.mod qs_matrix_pools.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_p_env_methods.F qs_p_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optbas_fenv_manipulation.o' due to: /build/reproducible-path/cp2k-2023.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod optimize_basis_types.mod basis_set_container_types.mod input_section_types.mod qs_matrix_pools.mod qs_rho_methods.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod string_utilities.mod qs_energy_init.mod qs_interactions.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_mo_io.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod cp_blacs_env.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_mom_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:05 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optbas_fenv_manipulation.F90 /build/reproducible-path/cp2k-2023.1/src/xas_tdp_correction.F:517:46: 517 | nbatch_occ = MAX(1, nblk_occ/batch_size) @@ -62173,6 +62208,8 @@ 468 | max_iter, nbatch_occ, nbatch_virt, nblk_occ, nblk_virt, nblks(3), ndo_mo, nhomo, nlumo, & | ^ note: 'nblk_virt' declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_epr_nablavks.mod' due to: qs_linres_epr_nablavks.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_epr_nablavks.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod qs_linres_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_oce_types.mod qs_kind_types.mod pw_types.mod external_potential_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod qs_vxc.mod qs_harmonics_atom.mod qs_gapw_densities.mod mathconstants.mod pw_methods.mod util.mod hartree_local_methods.mod cp_log_handling.mod kinds.mod cp_output_handling.mod qs_rho_atom_methods.mod qs_vxc_atom.mod base_hooks.mod cp_realspace_grid_cube.mod qs_grid_atom.mod qs_ks_methods.mod +true /build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F:511:60: 511 | ddapc_restraint_control%strength = extrapolation(1) @@ -62183,7 +62220,8 @@ 453 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control | ^ note: 'ddapc_restraint_control' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_p_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_hfx.mod' due to: rpa_hfx.o /build/reproducible-path/cp2k-2023.1/src/rpa_hfx.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod task_list_types.mod pw_types.mod virial_types.mod admm_types.mod cp_para_types.mod pw_pool_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod qs_vxc.mod cp_dbcsr_operations.mod hfx_ri.mod admm_methods.mod pw_methods.mod qs_integrate_potential.mod hfx_derivatives.mod kinds.mod input_constants.mod qs_ks_reference.mod base_hooks.mod hfx_energy_potential.mod machine.mod hfx_admm_utils.mod +true /build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F:415:88: 415 | ddapc_restraint_control%strength = scf_env%outer_scf%variables(1, ihistory + 1) @@ -62194,23 +62232,16 @@ 395 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control | ^ note: 'ddapc_restraint_control' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_qs.mod' due to: almo_scf_qs.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod almo_scf_types.mod qs_mo_types.mod cp_control_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_fm_struct.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_ks_methods.mod message_passing.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod almo_scf_types.mod cp_para_types.mod qs_environment_types.mod almo_scf_lbfgs_types.mod almo_scf_diis_types.mod input_section_types.mod ct_types.mod domain_submatrix_types.mod qs_kind_types.mod cell_types.mod particle_types.mod domain_submatrix_methods.mod cp_log_handling.mod qs_localization_methods.mod cp_output_handling.mod cp_external_control.mod particle_methods.mod qs_loc_utils.mod cp_files.mod machine.mod iterate_matrix.mod input_constants.mod kinds.mod ct_methods.mod almo_scf_methods.mod cp_blacs_env.mod message_passing.mod almo_scf_qs.mod cp_dbcsr_cholesky.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optbas_fenv_manipulation.mod' due to: optbas_fenv_manipulation.o /build/reproducible-path/cp2k-2023.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod optimize_basis_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cp_fm_pool_types.mod particle_types.mod basis_set_container_types.mod cp_fm_cholesky.mod cp_log_handling.mod cp_output_handling.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod kinds.mod qs_rho_methods.mod cp_blacs_env.mod qs_density_matrices.mod cp_fm_basic_linalg.mod qs_energy_init.mod qs_ks_methods.mod qs_matrix_pools.mod qs_mo_io.mod base_hooks.mod qs_interactions.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:45 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_optimizer.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_hfx.mod' due to: rpa_hfx.o /build/reproducible-path/cp2k-2023.1/src/rpa_hfx.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod qs_environment_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod admm_types.mod pw_types.mod hfx_ri.mod admm_methods.mod pw_methods.mod machine.mod cp_dbcsr_operations.mod qs_integrate_potential.mod input_constants.mod kinds.mod qs_ks_reference.mod hfx_admm_utils.mod parallel_gemm_api.mod hfx_derivatives.mod hfx_energy_potential.mod base_hooks.mod qs_vxc.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_rse.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_rse.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod input_section_types.mod pw_types.mod hfx_ri.mod cp_fm_struct.mod cp_dbcsr_operations.mod rpa_hfx.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod qs_ks_utils.mod cp_dbcsr_cp2k_link.mod hfx_energy_potential.mod base_hooks.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_rse.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_rse.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod cp_para_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod qs_ks_utils.mod qs_vxc.mod cp_dbcsr_operations.mod hfx_ri.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_diag.mod rpa_hfx.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_rse.F rpa_rse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_rse.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mom_methods.mod' due to: qs_mom_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_fm_types.mod qs_scf_types.mod input_section_types.mod bibliography.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_blacs_env.mod qs_density_matrices.mod cp_fm_basic_linalg.mod util.mod parallel_gemm_api.mod qs_scf_diagonalization.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_qs.mod' due to: almo_scf_qs.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_qs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod qs_scf_types.mod almo_scf_types.mod particle_types.mod cell_types.mod qs_rho_types.mod cp_fm_types.mod qs_rho_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod cp_units.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_initial_guess.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod hfx_types.mod qs_mo_types.mod xtb_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod cp_fm_cholesky.mod qs_dftb_utils.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod input_cp2k_hfx.mod kinds.mod qs_rho_methods.mod kpoint_io.mod qs_mo_methods.mod qs_mom_methods.mod qs_scf_methods.mod qs_density_matrices.mod util.mod qs_atomic_block.mod message_passing.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod atom_kind_orbitals.mod qs_wf_history_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_initial_guess.F qs_initial_guess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_initial_guess.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_mom_methods.mod' due to: qs_mom_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_mom_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_types.mod qs_mo_types.mod qs_scf_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_scf_diagonalization.mod cp_dbcsr_operations.mod bibliography.mod string_utilities.mod util.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod cp_blacs_env.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_rse.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod almo_scf_lbfgs_types.mod qs_energy_types.mod ct_types.mod qs_kind_types.mod almo_scf_diis_types.mod cp_para_types.mod almo_scf_types.mod domain_submatrix_types.mod particle_types.mod cell_types.mod input_section_types.mod qs_loc_utils.mod qs_localization_methods.mod cp_external_control.mod cp_files.mod domain_submatrix_methods.mod almo_scf_methods.mod cp_dbcsr_cholesky.mod ct_methods.mod message_passing.mod cp_log_handling.mod kinds.mod iterate_matrix.mod input_constants.mod cp_output_handling.mod base_hooks.mod particle_methods.mod almo_scf_qs.mod machine.mod cp_blacs_env.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf_optimizer.F90 /build/reproducible-path/cp2k-2023.1/src/qs_active_space_methods.F:1532:70: 1532 | wfn_r%cr3d = rho_r%cr3d*wfn3%cr3d*wfn4%cr3d @@ -62277,16 +62308,16 @@ 1313 | LOGICAL :: print1, print2, & | ^ note: 'print1' was declared here -/build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F:145:81: - - 145 | ddapc_restraint_control%target - | ^ -Warning: 'ddapc_restraint_control' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F:111:83: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_initial_guess.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod qs_mo_types.mod external_potential_types.mod qs_scf_types.mod xtb_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_rho_methods.mod cp_fm_cholesky.mod input_cp2k_hfx.mod cp_dbcsr_operations.mod qs_mom_methods.mod qs_scf_methods.mod qs_wf_history_methods.mod qs_dftb_utils.mod qs_atomic_block.mod util.mod atom_kind_orbitals.mod message_passing.mod cp_log_handling.mod kpoint_io.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod qs_density_matrices.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_initial_guess.F qs_initial_guess.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optbas_fenv_manipulation.mod' due to: optbas_fenv_manipulation.o /build/reproducible-path/cp2k-2023.1/src/optbas_fenv_manipulation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod optimize_basis_types.mod basis_set_container_types.mod input_section_types.mod qs_matrix_pools.mod qs_rho_methods.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod string_utilities.mod qs_energy_init.mod qs_interactions.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_mo_io.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod cp_blacs_env.mod qs_ks_methods.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:07 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_initial_guess.F90 +/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_forces.F:688:77: - 111 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control - | ^ -note: 'ddapc_restraint_control' was declared here + 688 | trho_r, trho_xc_g, trho_xc_r, v_xc, & + | ^ +Warning: 'trho_xc_g.data' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:3223:25: 3223 | SUBROUTINE split_v_blk(almo_scf_env) @@ -62302,60 +62333,55 @@ 4927 | SUBROUTINE opt_k_create_preconditioner(prec, vd_prop, f, x, oo_inv_x_tr, s, grad, & | ^ Warning: 'opt_k_create_preconditioner' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_forces.F:688:77: +/build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F:145:81: - 688 | trho_r, trho_xc_g, trho_xc_r, v_xc, & - | ^ -Warning: 'trho_xc_g.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_outer_scf.mod' due to: qs_outer_scf.o /build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod qs_cdft_types.mod qs_cdft_opt_types.mod qs_energy_types.mod scf_control_types.mod qs_environment_types.mod cp_control_types.mod mathlib.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod qs_basis_gradient.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_environment_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho0_types.mod ewald_pw_types.mod pw_pool_types.mod qs_charges_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod pw_types.mod distribution_methods.mod cp_dbcsr_operations.mod pw_env_methods.mod qs_rho0_ggrid.mod qs_outer_scf.mod input_constants.mod kinds.mod ewald_pw_methods.mod cp_blacs_env.mod qs_matrix_pools.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_environment_methods.F qs_environment_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_loop_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod qs_density_mixing_types.mod qs_gspace_mixing.mod cp_log_handling.mod qs_fb_env_methods.mod qs_scf_output.mod cp_external_control.mod qs_mixing_utils.mod qs_outer_scf.mod kinds.mod qs_rho_methods.mod qs_scf_methods.mod qs_density_matrices.mod qs_ot_scf.mod qs_scf_diagonalization.mod qs_mo_occupation.mod base_hooks.mod qs_mom_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:47 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_loop_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_p_env_methods.mod' due to: qs_p_env_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_local_rho_types.mod atomic_kind_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod hartree_local_types.mod preconditioner_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod qs_kind_types.mod admm_types.mod cp_fm_pool_types.mod pw_types.mod cp_fm_cholesky.mod cp_log_handling.mod hartree_local_methods.mod admm_methods.mod cp_output_handling.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod qs_rho0_ggrid.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_rho_methods.mod qs_rho0_methods.mod cp_blacs_env.mod qs_collocate_density.mod cp_fm_basic_linalg.mod qs_ks_methods.mod cp_fm_vect.mod parallel_gemm_api.mod qs_kpp1_env_methods.mod qs_matrix_pools.mod base_hooks.mod + 145 | ddapc_restraint_control%target + | ^ +Warning: 'ddapc_restraint_control' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F:111:83: + + 111 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control + | ^ +note: 'ddapc_restraint_control' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_p_env_methods.mod' due to: qs_p_env_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_p_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_linres_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod hartree_local_types.mod pw_types.mod qs_mo_types.mod task_list_types.mod input_section_types.mod preconditioner_types.mod admm_types.mod cp_para_types.mod qs_p_env_types.mod qs_local_rho_types.mod qs_rho_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_collocate_density.mod qs_matrix_pools.mod cp_fm_cholesky.mod qs_rho0_ggrid.mod qs_rho_methods.mod cp_dbcsr_operations.mod admm_methods.mod string_utilities.mod qs_kpp1_env_methods.mod cp_fm_vect.mod hartree_local_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_rho0_methods.mod input_constants.mod cp_output_handling.mod qs_rho_atom_methods.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_kernel.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_kernel.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod qs_rho_types.mod pw_poisson_types.mod xtb_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_kpp1_env_types.mod kg_environment_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod xc_rho_set_types.mod admm_types.mod xc_rho_cflags_types.mod particle_types.mod pw_types.mod xc.mod hfx_ri.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod pw_methods.mod kg_correction.mod lri_ks_methods.mod xtb_ehess.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_rho0_ggrid.mod xc_derivatives.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_p_env_methods.mod qs_vxc_atom.mod qs_fxc.mod pw_poisson_methods.mod message_passing.mod mulliken.mod hfx_energy_potential.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_kernel.F qs_linres_kernel.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_2nd_kernel_ao.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_2nd_kernel_ao.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod admm_types.mod pw_types.mod xc.mod cp_dbcsr_operations.mod qs_integrate_potential.mod input_constants.mod kinds.mod qs_p_env_methods.mod hfx_admm_utils.mod qs_kpp1_env_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_2nd_kernel_ao.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_2nd_kernel_ao.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod task_list_types.mod pw_types.mod admm_types.mod qs_p_env_types.mod pw_pool_types.mod qs_rho_types.mod input_section_types.mod cp_dbcsr_operations.mod qs_kpp1_env_methods.mod xc.mod qs_integrate_potential.mod kinds.mod input_constants.mod base_hooks.mod hfx_admm_utils.mod qs_p_env_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_2nd_kernel_ao.F qs_2nd_kernel_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_kernel.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_kernel.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_p_env_types.mod cp_fm_types.mod qs_tddfpt_types.mod qs_mo_types.mod qs_environment_types.mod cp_control_types.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod cp_log_handling.mod physcon.mod kinds.mod cp_fm_basic_linalg.mod qs_p_env_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_kernel.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_kernel.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_fm_types.mod qs_linres_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kpp1_env_types.mod qs_kind_types.mod pw_types.mod hfx_types.mod task_list_types.mod lri_environment_types.mod admm_types.mod xtb_types.mod cp_para_types.mod qs_p_env_types.mod kg_environment_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod qs_rho_types.mod xc_rho_cflags_types.mod input_section_types.mod pw_poisson_methods.mod qs_rho0_ggrid.mod mulliken.mod lri_ks_methods.mod xtb_ehess.mod qs_fxc.mod cp_dbcsr_operations.mod hfx_ri.mod qs_gapw_densities.mod qs_ks_atom.mod xc_derivatives.mod pw_methods.mod xc.mod message_passing.mod hartree_local_methods.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod qs_vxc_atom.mod hfx_energy_potential.mod qs_p_env_methods.mod kg_correction.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_kernel.F qs_linres_kernel.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tddfpt_types.mod qs_environment_types.mod qs_mo_types.mod qs_p_env_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod cp_fm_cholesky.mod cp_fm_basic_linalg.mod qs_p_env_methods.mod cp_log_handling.mod kinds.mod physcon.mod cp_dbcsr_operations.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_2nd_kernel_ao.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_2nd_kernel_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_rse.mod' due to: rpa_rse.o /build/reproducible-path/cp2k-2023.1/src/rpa_rse.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod input_section_types.mod pw_types.mod hfx_ri.mod cp_fm_struct.mod cp_dbcsr_operations.mod rpa_hfx.mod kinds.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod qs_ks_utils.mod cp_dbcsr_cp2k_link.mod hfx_energy_potential.mod base_hooks.mod qs_vxc.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_loop_utils.mod' due to: qs_scf_loop_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod kpoint_types.mod qs_density_mixing_types.mod qs_gspace_mixing.mod cp_log_handling.mod qs_fb_env_methods.mod qs_scf_output.mod cp_external_control.mod qs_mixing_utils.mod qs_outer_scf.mod kinds.mod qs_rho_methods.mod qs_scf_methods.mod qs_density_matrices.mod qs_ot_scf.mod qs_scf_diagonalization.mod qs_mo_occupation.mod base_hooks.mod qs_mom_methods.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_2nd_kernel_ao.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_2nd_kernel_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_kernel.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_kernel.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_outer_scf.mod' due to: qs_outer_scf.o /build/reproducible-path/cp2k-2023.1/src/qs_outer_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_environment_types.mod qs_scf_types.mod qs_cdft_types.mod scf_control_types.mod qs_cdft_opt_types.mod cp_control_types.mod base_hooks.mod qs_basis_gradient.mod cp_log_handling.mod kinds.mod input_constants.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_environment_methods.mod' due to: qs_environment_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod ewald_environment_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_rho0_types.mod ewald_pw_types.mod pw_pool_types.mod qs_charges_types.mod molecule_kind_types.mod qs_kind_types.mod cell_types.mod particle_types.mod distribution_2d_types.mod pw_types.mod distribution_methods.mod cp_dbcsr_operations.mod pw_env_methods.mod qs_rho0_ggrid.mod qs_outer_scf.mod input_constants.mod kinds.mod ewald_pw_methods.mod cp_blacs_env.mod qs_matrix_pools.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_forces.mod' due to: qs_tddfpt2_forces.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_oce_types.mod hfx_types.mod qs_mo_types.mod pw_poisson_types.mod qs_rho_types.mod xtb_types.mod cp_control_types.mod cp_para_types.mod exstates_types.mod qs_force_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod hartree_local_types.mod qs_tddfpt2_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho0_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod qs_kernel_types.mod qs_rho_atom_types.mod qs_kind_types.mod admm_types.mod particle_types.mod pw_types.mod hfx_ri.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod pw_methods.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_overlap.mod qs_rho0_ggrid.mod xtb_ehess.mod qs_tddfpt2_fhxc_forces.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_rho_atom_methods.mod qs_vxc_atom.mod qs_rho0_methods.mod qs_ks_reference.mod qs_fxc.mod qs_collocate_density.mod qs_density_matrices.mod pw_poisson_methods.mod message_passing.mod parallel_gemm_api.mod mulliken.mod cp_dbcsr_cp2k_link.mod hfx_energy_potential.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_environment_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod cp_control_types.mod ewald_pw_types.mod pw_types.mod qs_kind_types.mod qs_charges_types.mod molecule_kind_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod scf_control_types.mod ewald_environment_types.mod qs_matrix_pools.mod qs_rho0_ggrid.mod cp_dbcsr_operations.mod ewald_pw_methods.mod distribution_methods.mod pw_env_methods.mod kinds.mod input_constants.mod base_hooks.mod cp_blacs_env.mod qs_outer_scf.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_environment_methods.F qs_environment_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_loop_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod qs_density_mixing_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_scf_diagonalization.mod qs_rho_methods.mod cp_external_control.mod qs_mom_methods.mod qs_scf_methods.mod qs_ot_scf.mod cp_log_handling.mod kinds.mod qs_mo_occupation.mod qs_fb_env_methods.mod qs_scf_output.mod base_hooks.mod qs_density_matrices.mod qs_outer_scf.mod qs_mixing_utils.mod qs_gspace_mixing.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_environment_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_rse.mod' due to: rpa_rse.o /build/reproducible-path/cp2k-2023.1/src/rpa_rse.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod cp_para_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod qs_ks_utils.mod qs_vxc.mod cp_dbcsr_operations.mod hfx_ri.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_diag.mod rpa_hfx.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt_utils.mod' due to: qs_tddfpt_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_p_env_types.mod cp_fm_types.mod qs_tddfpt_types.mod qs_mo_types.mod qs_environment_types.mod cp_control_types.mod cp_dbcsr_operations.mod cp_fm_cholesky.mod cp_log_handling.mod physcon.mod kinds.mod cp_fm_basic_linalg.mod qs_p_env_methods.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_loop_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_forces.mod' due to: qs_tddfpt2_forces.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_forces.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_force_types.mod qs_rho0_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_oce_types.mod exstates_types.mod qs_kind_types.mod hartree_local_types.mod hfx_types.mod pw_types.mod qs_mo_types.mod qs_tddfpt2_types.mod task_list_types.mod qs_kernel_types.mod admm_types.mod xtb_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod qs_local_rho_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod qs_rho0_ggrid.mod mulliken.mod cp_dbcsr_cp2k_link.mod xtb_ehess.mod qs_fxc.mod cp_dbcsr_operations.mod hfx_ri.mod qs_gapw_densities.mod qs_tddfpt2_fhxc_forces.mod qs_ks_atom.mod qs_overlap.mod pw_methods.mod message_passing.mod hartree_local_methods.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod qs_rho0_methods.mod input_constants.mod qs_tddfpt2_subgroups.mod qs_ks_reference.mod qs_rho_atom_methods.mod qs_vxc_atom.mod hfx_energy_potential.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_correction.mod' due to: xas_tdp_correction.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod xas_tdp_types.mod admm_types.mod bibliography.mod cp_log_handling.mod physcon.mod machine.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod xas_tdp_kernel.mod admm_utils.mod kinds.mod dbt_api.mod cp_fm_diag.mod cp_array_utils.mod cp_blacs_env.mod util.mod qs_ks_methods.mod hfx_admm_utils.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt_utils.mod' due to: qs_tddfpt_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tddfpt_types.mod qs_environment_types.mod qs_mo_types.mod qs_p_env_types.mod cp_fm_types.mod cp_control_types.mod base_hooks.mod cp_fm_cholesky.mod cp_fm_basic_linalg.mod qs_p_env_methods.mod cp_log_handling.mod kinds.mod physcon.mod cp_dbcsr_operations.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt_eigensolver.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod qs_p_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_tddfpt_types.mod cp_fm_pool_types.mod cp_log_handling.mod physcon.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod qs_p_env_methods.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod qs_matrix_pools.mod base_hooks.mod qs_tddfpt_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt_eigensolver.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_tddfpt_types.mod qs_environment_types.mod cp_control_types.mod qs_p_env_types.mod cp_para_types.mod cp_fm_types.mod qs_matrix_pools.mod cp_dbcsr_operations.mod qs_tddfpt_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_diag.mod qs_p_env_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt_eigensolver.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_2nd_kernel_ao.mod' due to: qs_2nd_kernel_ao.o /build/reproducible-path/cp2k-2023.1/src/qs_2nd_kernel_ao.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod admm_types.mod pw_types.mod xc.mod cp_dbcsr_operations.mod qs_integrate_potential.mod input_constants.mod kinds.mod qs_p_env_methods.mod hfx_admm_utils.mod qs_kpp1_env_methods.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt_eigensolver.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_2nd_kernel_ao.mod' due to: qs_2nd_kernel_ao.o /build/reproducible-path/cp2k-2023.1/src/qs_2nd_kernel_ao.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod task_list_types.mod pw_types.mod admm_types.mod qs_p_env_types.mod pw_pool_types.mod qs_rho_types.mod input_section_types.mod cp_dbcsr_operations.mod qs_kpp1_env_methods.mod xc.mod qs_integrate_potential.mod kinds.mod input_constants.mod base_hooks.mod hfx_admm_utils.mod qs_p_env_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_correction.mod' due to: xas_tdp_correction.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_correction.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod xas_tdp_types.mod input_section_types.mod parallel_gemm_api.mod cp_array_utils.mod cp_dbcsr_operations.mod bibliography.mod xas_tdp_kernel.mod mathlib.mod util.mod dbt_api.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod base_hooks.mod cp_fm_struct.mod machine.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod hfx_admm_utils.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_cphf.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_cphf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod hfx_types.mod qs_dispersion_types.mod pw_poisson_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod mp2_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod admm_types.mod particle_types.mod pw_types.mod hfx_ri.mod cp_log_handling.mod admm_methods.mod core_ppl.mod cp_output_handling.mod pw_methods.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_overlap.mod rpa_hfx.mod input_constants.mod kinds.mod qs_p_env_methods.mod qs_ks_reference.mod mathconstants.mod qs_2nd_kernel_ao.mod cp_blacs_env.mod qs_density_matrices.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod qs_dispersion_pairpot.mod hfx_admm_utils.mod linear_systems.mod message_passing.mod kahan_sum.mod parallel_gemm_api.mod hfx_derivatives.mod qs_kinetic.mod core_ppnl.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_cphf.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_cphf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_dispersion_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_linres_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod hfx_types.mod qs_mo_types.mod task_list_types.mod virial_types.mod input_section_types.mod admm_types.mod cp_para_types.mod qs_p_env_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod qs_rho_types.mod cp_fm_types.mod core_ppl.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_p_env_methods.mod core_ppnl.mod linear_systems.mod cp_dbcsr_operations.mod hfx_ri.mod admm_methods.mod mathconstants.mod qs_overlap.mod pw_methods.mod qs_2nd_kernel_ao.mod message_passing.mod qs_integrate_potential.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod hfx_derivatives.mod kinds.mod input_constants.mod qs_ks_reference.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod machine.mod cp_blacs_env.mod rpa_hfx.mod hfx_admm_utils.mod qs_dispersion_pairpot.mod qs_kinetic.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_cphf.F mp2_cphf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_cphf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_active_space_methods.mod' due to: qs_active_space_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_loc_types.mod qs_mo_types.mod pw_poisson_types.mod qs_active_space_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod preconditioner_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod task_list_types.mod input_section_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod basis_set_types.mod cell_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod cp_external_control.mod pw_methods.mod cp_files.mod machine.mod cp_fm_struct.mod qs_loc_utils.mod cp_dbcsr_operations.mod pw_env_methods.mod periodic_table.mod input_constants.mod kinds.mod qs_rho_methods.mod cp_fm_diag.mod qs_mo_methods.mod task_list_methods.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod memory_utilities.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod qs_density_matrices.mod qs_ot_eigensolver.mod qs_ks_methods.mod cp_fm_vect.mod message_passing.mod qs_loc_methods.mod parallel_gemm_api.mod qs_mo_io.mod base_hooks.mod cp_realspace_grid_cube.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_cphf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_active_space_methods.mod' due to: qs_active_space_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_active_space_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod basis_set_types.mod qs_energy_types.mod qs_loc_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod task_list_types.mod input_section_types.mod preconditioner_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod particle_list_types.mod qs_rho_types.mod scf_control_types.mod qs_active_space_types.mod cp_fm_types.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_collocate_density.mod qs_rho_methods.mod qs_loc_utils.mod qs_loc_methods.mod cp_external_control.mod cp_dbcsr_operations.mod cp_files.mod memory_utilities.mod task_list_methods.mod mathconstants.mod qs_ot_eigensolver.mod pw_methods.mod cp_fm_vect.mod pw_env_methods.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod cp_output_handling.mod base_hooks.mod periodic_table.mod cp_fm_struct.mod cp_realspace_grid_cube.mod qs_density_matrices.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_initial_guess.mod' due to: qs_initial_guess.o /build/reproducible-path/cp2k-2023.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod hfx_types.mod qs_mo_types.mod xtb_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod external_potential_types.mod basis_set_types.mod particle_types.mod kpoint_types.mod cp_fm_cholesky.mod qs_dftb_utils.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod input_cp2k_hfx.mod kinds.mod qs_rho_methods.mod kpoint_io.mod qs_mo_methods.mod qs_mom_methods.mod qs_scf_methods.mod qs_density_matrices.mod util.mod qs_atomic_block.mod message_passing.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod atom_kind_orbitals.mod qs_wf_history_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_environment_methods.mod' due to: qs_environment_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_environment_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_rho0_types.mod cp_control_types.mod ewald_pw_types.mod pw_types.mod qs_kind_types.mod qs_charges_types.mod molecule_kind_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod cell_types.mod distribution_2d_types.mod scf_control_types.mod ewald_environment_types.mod qs_matrix_pools.mod qs_rho0_ggrid.mod cp_dbcsr_operations.mod ewald_pw_methods.mod distribution_methods.mod pw_env_methods.mod kinds.mod input_constants.mod base_hooks.mod cp_blacs_env.mod qs_outer_scf.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_qs.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod dm_ls_scf_types.mod qs_density_mixing_types.mod qs_rho_atom_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod particle_types.mod pw_types.mod qs_gspace_mixing.mod cp_log_handling.mod pw_methods.mod cp_dbcsr_operations.mod qs_mixing_utils.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_collocate_density.mod qs_ks_methods.mod qs_atomic_block.mod cp_dbcsr_cp2k_link.mod qs_initial_guess.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_initialization.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_block_davidson_types.mod scf_control_types.mod qs_fb_env_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_cdft_opt_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod xas_env_types.mod qs_density_mixing_types.mod input_section_types.mod qs_rho_atom_types.mod qs_kind_types.mod cp_fm_pool_types.mod kpoint_types.mod pw_types.mod qs_scf_lanczos.mod cp_fm_cholesky.mod cp_log_handling.mod qs_fb_env_methods.mod qs_scf_output.mod qs_fb_distribution_methods.mod cp_output_handling.mod cp_dbcsr_output.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_mixing_utils.mod qs_outer_scf.mod input_constants.mod kinds.mod qs_rho_methods.mod cp_fm_diag.mod cp_fm_basic_linalg.mod xas_restart.mod qmmm_image_charge.mod qs_matrix_pools.mod qs_scf_diagonalization.mod qs_mo_occupation.mod qs_initial_guess.mod base_hooks.mod qs_wf_history_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_initialization.F qs_scf_initialization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_initialization.F90 /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_eigensolver.F:448:13: 448 | IF (mode == 'L') THEN @@ -62366,18 +62392,36 @@ 181 | CHARACTER :: mode | ^ note: 'mode[1]{lb: 1 sz: 1}' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt_eigensolver.mod' due to: qs_tddfpt_eigensolver.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod qs_p_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_tddfpt_types.mod cp_fm_pool_types.mod cp_log_handling.mod physcon.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod qs_p_env_methods.mod cp_fm_diag.mod cp_blacs_env.mod cp_fm_basic_linalg.mod qs_matrix_pools.mod base_hooks.mod qs_tddfpt_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_initial_guess.mod' due to: qs_initial_guess.o /build/reproducible-path/cp2k-2023.1/src/qs_initial_guess.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod qs_mo_types.mod external_potential_types.mod qs_scf_types.mod xtb_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_rho_methods.mod cp_fm_cholesky.mod input_cp2k_hfx.mod cp_dbcsr_operations.mod qs_mom_methods.mod qs_scf_methods.mod qs_wf_history_methods.mod qs_dftb_utils.mod qs_atomic_block.mod util.mod atom_kind_orbitals.mod message_passing.mod cp_log_handling.mod kpoint_io.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod qs_density_matrices.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_qs.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod qs_density_mixing_types.mod dm_ls_scf_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod particle_list_types.mod qs_rho_types.mod qs_collocate_density.mod qs_rho_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod qs_atomic_block.mod pw_methods.mod cp_log_handling.mod kinds.mod qs_initial_guess.mod input_constants.mod base_hooks.mod cp_realspace_grid_cube.mod qs_mixing_utils.mod qs_ks_methods.mod qs_gspace_mixing.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_initialization.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_ks_types.mod qs_environment_types.mod qs_block_davidson_types.mod cp_fm_types.mod qs_rho_atom_types.mod qs_cdft_opt_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod xas_env_types.mod qs_density_mixing_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod qs_rho_types.mod qs_fb_env_types.mod scf_control_types.mod input_section_types.mod qs_scf_diagonalization.mod qs_matrix_pools.mod qs_rho_methods.mod cp_fm_cholesky.mod qs_fb_distribution_methods.mod cp_dbcsr_operations.mod xas_restart.mod qs_wf_history_methods.mod qmmm_image_charge.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_initial_guess.mod input_constants.mod qs_mo_occupation.mod qs_fb_env_methods.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod cp_dbcsr_output.mod cp_fm_struct.mod qs_scf_lanczos.mod qs_outer_scf.mod cp_fm_diag.mod qs_mixing_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_initialization.F qs_scf_initialization.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_loop_utils.mod' due to: qs_scf_loop_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_loop_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod qs_density_mixing_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_scf_diagonalization.mod qs_rho_methods.mod cp_external_control.mod qs_mom_methods.mod qs_scf_methods.mod qs_ot_scf.mod cp_log_handling.mod kinds.mod qs_mo_occupation.mod qs_fb_env_methods.mod qs_scf_output.mod base_hooks.mod qs_density_matrices.mod qs_outer_scf.mod qs_mixing_utils.mod qs_gspace_mixing.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_qs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_initialization.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt_eigensolver.mod' due to: qs_tddfpt_eigensolver.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_eigensolver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_tddfpt_types.mod qs_environment_types.mod cp_control_types.mod qs_p_env_types.mod cp_para_types.mod cp_fm_types.mod qs_matrix_pools.mod cp_dbcsr_operations.mod qs_tddfpt_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_diag.mod qs_p_env_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt_module.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_module.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_p_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_tddfpt_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod input_constants.mod header.mod qs_tddfpt_eigensolver.mod qs_ks_methods.mod xc_pot_saop.mod base_hooks.mod qs_tddfpt_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt_module.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_module.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tddfpt_types.mod qs_ks_types.mod qs_environment_types.mod qs_energy_types.mod qs_scf_types.mod qs_p_env_types.mod qs_rho_types.mod input_section_types.mod xc_pot_saop.mod qs_tddfpt_eigensolver.mod bibliography.mod qs_tddfpt_utils.mod cp_log_handling.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_ks_methods.mod header.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_module.F qs_tddfpt_module.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt_module.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_qs.mod' due to: dm_ls_scf_qs.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod dm_ls_scf_types.mod qs_density_mixing_types.mod qs_rho_atom_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod particle_types.mod pw_types.mod qs_gspace_mixing.mod cp_log_handling.mod pw_methods.mod cp_dbcsr_operations.mod qs_mixing_utils.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_collocate_density.mod qs_ks_methods.mod qs_atomic_block.mod cp_dbcsr_cp2k_link.mod qs_initial_guess.mod base_hooks.mod cp_realspace_grid_cube.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:12 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt_module.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_kernel.mod' due to: qs_linres_kernel.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_kernel.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod xc_rho_set_types.mod cp_fm_types.mod qs_linres_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_kpp1_env_types.mod qs_kind_types.mod pw_types.mod hfx_types.mod task_list_types.mod lri_environment_types.mod admm_types.mod xtb_types.mod cp_para_types.mod qs_p_env_types.mod kg_environment_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod qs_rho_types.mod xc_rho_cflags_types.mod input_section_types.mod pw_poisson_methods.mod qs_rho0_ggrid.mod mulliken.mod lri_ks_methods.mod xtb_ehess.mod qs_fxc.mod cp_dbcsr_operations.mod hfx_ri.mod qs_gapw_densities.mod qs_ks_atom.mod xc_derivatives.mod pw_methods.mod xc.mod message_passing.mod hartree_local_methods.mod qs_integrate_potential.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod qs_vxc_atom.mod hfx_energy_potential.mod qs_p_env_methods.mod kg_correction.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_kernel.mod' due to: qs_linres_kernel.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_kernel.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod qs_rho_types.mod pw_poisson_types.mod xtb_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_kpp1_env_types.mod kg_environment_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_kind_types.mod xc_rho_set_types.mod admm_types.mod xc_rho_cflags_types.mod particle_types.mod pw_types.mod xc.mod hfx_ri.mod cp_log_handling.mod qs_gapw_densities.mod hartree_local_methods.mod pw_methods.mod kg_correction.mod lri_ks_methods.mod xtb_ehess.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_rho0_ggrid.mod xc_derivatives.mod qs_ks_atom.mod input_constants.mod kinds.mod qs_p_env_methods.mod qs_vxc_atom.mod qs_fxc.mod pw_poisson_methods.mod message_passing.mod mulliken.mod hfx_energy_potential.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_orth_solver.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_orth_solver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod qs_linres_types.mod cp_control_types.mod qs_kpp1_env_types.mod pw_types.mod admm_types.mod cp_para_types.mod qs_p_env_types.mod pw_pool_types.mod pw_poisson_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod cp_external_control.mod cp_dbcsr_operations.mod pw_methods.mod mathlib.mod xc.mod ec_methods.mod qs_integrate_potential.mod qs_linres_kernel.mod kinds.mod iterate_matrix.mod input_constants.mod base_hooks.mod machine.mod qs_p_env_methods.mod kg_correction.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_orth_solver.F ec_orth_solver.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_loc_types.mod qs_mo_types.mod cp_para_types.mod qs_p_env_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod qs_rho_methods.mod qs_loc_utils.mod qs_loc_methods.mod cp_external_control.mod cp_dbcsr_operations.mod cp_files.mod qs_gapw_densities.mod string_utilities.mod cp_fm_vect.mod qs_2nd_kernel_ao.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_linres_kernel.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod preconditioner.mod cp_fm_struct.mod machine.mod qs_p_env_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_methods.F qs_linres_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_orth_solver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_orth_solver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_qs.mod' due to: dm_ls_scf_qs.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_qs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_rho_atom_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod qs_density_mixing_types.mod dm_ls_scf_types.mod cp_para_types.mod pw_pool_types.mod particle_types.mod particle_list_types.mod qs_rho_types.mod qs_collocate_density.mod qs_rho_methods.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod qs_atomic_block.mod pw_methods.mod cp_log_handling.mod kinds.mod qs_initial_guess.mod input_constants.mod base_hooks.mod cp_realspace_grid_cube.mod qs_mixing_utils.mod qs_ks_methods.mod qs_gspace_mixing.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_chebyshev.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod input_section_types.mod qs_environment_types.mod dm_ls_scf_qs.mod mathconstants.mod cp_log_handling.mod arnoldi_api.mod kinds.mod base_hooks.mod cp_output_handling.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_chebyshev.F dm_ls_chebyshev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:52 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_chebyshev.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod base_hooks.mod arnoldi_api.mod cp_log_handling.mod machine.mod kinds.mod input_constants.mod dm_ls_scf_qs.mod mathlib.mod iterate_matrix.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pexsi_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pexsi_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_environment_types.mod dm_ls_scf_types.mod pexsi_types.mod qs_ks_types.mod input_section_types.mod base_hooks.mod arnoldi_api.mod message_passing.mod cp_dbcsr_cp2k_link.mod cp_log_handling.mod pexsi_interface.mod dm_ls_scf_qs.mod kinds.mod cp_dbcsr_operations.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pexsi_methods.F pexsi_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:13 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_methods.F90 /build/reproducible-path/cp2k-2023.1/src/mp2_cphf.F:1252:99: 1252 | scale_search - residual_new_dot_diff_search_vec_old/residual_dot_diff_search_vec_old @@ -62388,20 +62432,34 @@ 1058 | residual_dot_search_vec, residual_new_dot_diff_search_vec_old, scale_result, & | ^ note: 'residual_new_dot_diff_search_vec_old' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathlib.mod dm_ls_scf_qs.mod cp_log_handling.mod iterate_matrix.mod arnoldi_api.mod input_constants.mod kinds.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pexsi_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pexsi_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod qs_energy_types.mod input_section_types.mod qs_ks_types.mod pexsi_types.mod qs_environment_types.mod message_passing.mod cp_dbcsr_operations.mod dm_ls_scf_qs.mod cp_log_handling.mod arnoldi_api.mod pexsi_interface.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pexsi_methods.F pexsi_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ec_orth_solver.o' due to: /build/reproducible-path/cp2k-2023.1/src/ec_orth_solver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_p_env_types.mod pw_env_types.mod qs_kpp1_env_types.mod qs_environment_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod admm_types.mod pw_types.mod xc.mod cp_external_control.mod pw_methods.mod kg_correction.mod ec_methods.mod machine.mod mathlib.mod cp_dbcsr_operations.mod qs_integrate_potential.mod iterate_matrix.mod input_constants.mod kinds.mod qs_p_env_methods.mod pw_poisson_methods.mod base_hooks.mod qs_linres_kernel.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ec_orth_solver.F ec_orth_solver.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_p_env_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod qs_linres_types.mod cp_log_handling.mod qs_gapw_densities.mod cp_output_handling.mod cp_external_control.mod qs_loc_utils.mod cp_files.mod machine.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod preconditioner.mod input_constants.mod kinds.mod qs_p_env_methods.mod qs_rho_methods.mod qs_2nd_kernel_ao.mod cp_fm_basic_linalg.mod cp_fm_vect.mod message_passing.mod qs_loc_methods.mod parallel_gemm_api.mod base_hooks.mod qs_linres_kernel.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_methods.F qs_linres_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt_module.mod' due to: qs_tddfpt_module.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_module.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod qs_p_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_tddfpt_types.mod bibliography.mod cp_log_handling.mod cp_output_handling.mod input_constants.mod header.mod qs_tddfpt_eigensolver.mod qs_ks_methods.mod xc_pot_saop.mod base_hooks.mod qs_tddfpt_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_chebyshev.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod base_hooks.mod arnoldi_api.mod cp_log_handling.mod machine.mod mathconstants.mod kinds.mod dm_ls_scf_qs.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_chebyshev.F dm_ls_chebyshev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pexsi_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt_module.mod' due to: qs_tddfpt_module.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt_module.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_tddfpt_types.mod qs_ks_types.mod qs_environment_types.mod qs_energy_types.mod qs_scf_types.mod qs_p_env_types.mod qs_rho_types.mod input_section_types.mod xc_pot_saop.mod qs_tddfpt_eigensolver.mod bibliography.mod qs_tddfpt_utils.mod cp_log_handling.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_ks_methods.mod header.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_orth_solver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ec_orth_solver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pexsi_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:53 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_chebyshev.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_initialization.mod' due to: qs_scf_initialization.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_ks_types.mod qs_environment_types.mod qs_block_davidson_types.mod cp_fm_types.mod qs_rho_atom_types.mod qs_cdft_opt_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod xas_env_types.mod qs_density_mixing_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod qs_rho_types.mod qs_fb_env_types.mod scf_control_types.mod input_section_types.mod qs_scf_diagonalization.mod qs_matrix_pools.mod qs_rho_methods.mod cp_fm_cholesky.mod qs_fb_distribution_methods.mod cp_dbcsr_operations.mod xas_restart.mod qs_wf_history_methods.mod qmmm_image_charge.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_initial_guess.mod input_constants.mod qs_mo_occupation.mod qs_fb_env_methods.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod cp_dbcsr_output.mod cp_fm_struct.mod qs_scf_lanczos.mod qs_outer_scf.mod cp_fm_diag.mod qs_mixing_utils.mod +true +/build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:904:99: + + 904 | scaled_lumo_bound = evaluate_trs4_polynomial(scaled_lumo_bound, gamma_values(i:), 1) + | ^ +Warning: 'scaled_lumo_bound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:755:89: + + 755 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, & + | ^ +note: 'scaled_lumo_bound' was declared here +/build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:903:99: + + 903 | scaled_homo_bound = evaluate_trs4_polynomial(scaled_homo_bound, gamma_values(i:), 1) + | ^ +Warning: 'scaled_homo_bound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:755:70: + + 755 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, & + | ^ +note: 'scaled_homo_bound' was declared here /build/reproducible-path/cp2k-2023.1/src/dm_ls_chebyshev.F:119:69: 119 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: aitchev_T, E_inte, gdensity, sqrt_vec @@ -62422,7 +62480,6 @@ 355 | chev_Es_dos(igrid) = (chev_E(igrid) - interval_b)/interval_a | ^ Warning: 'interval_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_initialization.mod' due to: qs_scf_initialization.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_initialization.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_block_davidson_types.mod scf_control_types.mod qs_fb_env_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_cdft_opt_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod xas_env_types.mod qs_density_mixing_types.mod input_section_types.mod qs_rho_atom_types.mod qs_kind_types.mod cp_fm_pool_types.mod kpoint_types.mod pw_types.mod qs_scf_lanczos.mod cp_fm_cholesky.mod cp_log_handling.mod qs_fb_env_methods.mod qs_scf_output.mod qs_fb_distribution_methods.mod cp_output_handling.mod cp_dbcsr_output.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_mixing_utils.mod qs_outer_scf.mod input_constants.mod kinds.mod qs_rho_methods.mod cp_fm_diag.mod cp_fm_basic_linalg.mod xas_restart.mod qmmm_image_charge.mod qs_matrix_pools.mod qs_scf_diagonalization.mod qs_mo_occupation.mod qs_initial_guess.mod base_hooks.mod qs_wf_history_methods.mod /build/reproducible-path/cp2k-2023.1/src/dm_ls_chebyshev.F:116:19: 116 | interval_b, max_ev, min_ev, occ, orbital_occ, summa, t1, t2 @@ -62438,30 +62495,7 @@ 115 | REAL(KIND=dp) :: chev_T, chev_T_dos, dummy1, final, frob_matrix, initial, interval_a, & | ^ note: 'interval_a' was declared here -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_chebyshev.mod' due to: dm_ls_chebyshev.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod input_section_types.mod qs_environment_types.mod dm_ls_scf_qs.mod mathconstants.mod cp_log_handling.mod arnoldi_api.mod kinds.mod base_hooks.mod cp_output_handling.mod machine.mod -true -/build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:904:99: - - 904 | scaled_lumo_bound = evaluate_trs4_polynomial(scaled_lumo_bound, gamma_values(i:), 1) - | ^ -Warning: 'scaled_lumo_bound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:755:89: - - 755 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, & - | ^ -note: 'scaled_lumo_bound' was declared here -/build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:903:99: - - 903 | scaled_homo_bound = evaluate_trs4_polynomial(scaled_homo_bound, gamma_values(i:), 1) - | ^ -Warning: 'scaled_homo_bound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:755:70: - - 755 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, & - | ^ -note: 'scaled_homo_bound' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pexsi_methods.mod' due to: pexsi_methods.o /build/reproducible-path/cp2k-2023.1/src/pexsi_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod qs_energy_types.mod input_section_types.mod qs_ks_types.mod pexsi_types.mod qs_environment_types.mod message_passing.mod cp_dbcsr_operations.mod dm_ls_scf_qs.mod cp_log_handling.mod arnoldi_api.mod pexsi_interface.mod cp_dbcsr_cp2k_link.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pexsi_methods.mod' due to: pexsi_methods.o /build/reproducible-path/cp2k-2023.1/src/pexsi_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_environment_types.mod dm_ls_scf_types.mod pexsi_types.mod qs_ks_types.mod input_section_types.mod base_hooks.mod arnoldi_api.mod message_passing.mod cp_dbcsr_cp2k_link.mod cp_log_handling.mod pexsi_interface.mod dm_ls_scf_qs.mod kinds.mod cp_dbcsr_operations.mod true /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F:440:19: @@ -62483,25 +62517,27 @@ 403 | REAL(KIND=dp) :: increment, mu_high, mu_low, trace | ^ note: 'mu_high' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_methods.mod' due to: dm_ls_scf_methods.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod mathlib.mod dm_ls_scf_qs.mod cp_log_handling.mod iterate_matrix.mod arnoldi_api.mod input_constants.mod kinds.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_methods.mod' due to: dm_ls_scf_methods.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod base_hooks.mod arnoldi_api.mod cp_log_handling.mod machine.mod kinds.mod input_constants.mod dm_ls_scf_qs.mod mathlib.mod iterate_matrix.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod pao_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod dm_ls_scf_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod bibliography.mod cp_log_handling.mod machine.mod mathlib.mod ao_util.mod pao_ml.mod iterate_matrix.mod dm_ls_scf_methods.mod kinds.mod qs_rho_methods.mod qs_ks_methods.mod message_passing.mod dm_ls_scf_qs.mod pao_param.mod qs_initial_guess.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod basis_set_types.mod pao_types.mod qs_energy_types.mod qs_kind_types.mod dm_ls_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod qs_rho_methods.mod pao_ml.mod bibliography.mod mathlib.mod message_passing.mod dm_ls_scf_methods.mod cp_log_handling.mod kinds.mod iterate_matrix.mod qs_initial_guess.mod dm_ls_scf_qs.mod base_hooks.mod machine.mod qs_ks_methods.mod ao_util.mod pao_param.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_methods.F pao_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_methods.mod' due to: qs_linres_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_loc_types.mod qs_mo_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_p_env_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod qs_linres_types.mod cp_log_handling.mod qs_gapw_densities.mod cp_output_handling.mod cp_external_control.mod qs_loc_utils.mod cp_files.mod machine.mod cp_fm_struct.mod string_utilities.mod cp_dbcsr_operations.mod preconditioner.mod input_constants.mod kinds.mod qs_p_env_methods.mod qs_rho_methods.mod qs_2nd_kernel_ao.mod cp_fm_basic_linalg.mod cp_fm_vect.mod message_passing.mod qs_loc_methods.mod parallel_gemm_api.mod base_hooks.mod qs_linres_kernel.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_chebyshev.mod' due to: dm_ls_chebyshev.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_chebyshev.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod base_hooks.mod arnoldi_api.mod cp_log_handling.mod machine.mod mathconstants.mod kinds.mod dm_ls_scf_qs.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_issc_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_p_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_fermi_contact.mod physcon.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod qs_spin_orbit.mod kinds.mod qs_elec_field.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_linres_methods.mod qs_matrix_pools.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dcdr.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dcdr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_p_env_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_dcdr_utils.mod cp_output_handling.mod cp_dbcsr_operations.mod kinds.mod cp_array_utils.mod qs_moments.mod cp_fm_basic_linalg.mod qs_dcdr_ao.mod qs_linres_methods.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_methods.mod' due to: qs_linres_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_loc_types.mod qs_mo_types.mod cp_para_types.mod qs_p_env_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod qs_rho_methods.mod qs_loc_utils.mod qs_loc_methods.mod cp_external_control.mod cp_dbcsr_operations.mod cp_files.mod qs_gapw_densities.mod string_utilities.mod cp_fm_vect.mod qs_2nd_kernel_ao.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_linres_kernel.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod preconditioner.mod cp_fm_struct.mod machine.mod qs_p_env_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_dcdr.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_dcdr.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod qs_kind_types.mod qs_p_env_types.mod particle_types.mod cell_types.mod input_section_types.mod parallel_gemm_api.mod cp_array_utils.mod qs_dcdr_utils.mod cp_dbcsr_operations.mod qs_moments.mod qs_dcdr_ao.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod qs_linres_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_dcdr.F qs_dcdr.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_polar_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod qs_p_env_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod qs_linres_types.mod cell_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod cp_fm_struct.mod kinds.mod cp_result_methods.mod mathconstants.mod cp_fm_basic_linalg.mod qs_linres_methods.mod qs_matrix_pools.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_polar_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_environment_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod qs_p_env_types.mod cell_types.mod input_section_types.mod qs_matrix_pools.mod bibliography.mod cp_result_methods.mod mathconstants.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_linres_methods.mod cp_fm_struct.mod machine.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_current_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_array_utils.mod qs_operators_ao.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_linres_methods.mod qs_loc_methods.mod qs_linres_op.mod qs_matrix_pools.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dcdr.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_issc_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod qs_p_env_types.mod particle_types.mod cell_types.mod input_section_types.mod qs_matrix_pools.mod qs_fermi_contact.mod qs_spin_orbit.mod qs_elec_field.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod memory_utilities.mod mathlib.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_linres_methods.mod cp_fm_struct.mod particle_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_polar_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_current_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod realspace_grid_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod qs_p_env_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_matrix_pools.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod qs_loc_methods.mod cp_dbcsr_operations.mod memory_utilities.mod pw_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_linres_methods.mod cp_fm_struct.mod particle_methods.mod qs_linres_op.mod qs_operators_ao.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_current_utils.F qs_linres_current_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_dcdr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_issc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_polar_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_current_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_issc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_current_utils.F90 /build/reproducible-path/cp2k-2023.1/src/mp2_cphf.F:523:41: 523 | mp2_env%p_screen = restore_p_screen @@ -62512,56 +62548,20 @@ 183 | do_exx, do_hfx, restore_p_screen | ^ note: 'restore_p_screen' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_orth_solver.mod' due to: ec_orth_solver.o /build/reproducible-path/cp2k-2023.1/src/ec_orth_solver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod qs_p_env_types.mod pw_env_types.mod qs_kpp1_env_types.mod qs_environment_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod admm_types.mod pw_types.mod xc.mod cp_external_control.mod pw_methods.mod kg_correction.mod ec_methods.mod machine.mod mathlib.mod cp_dbcsr_operations.mod qs_integrate_potential.mod iterate_matrix.mod input_constants.mod kinds.mod qs_p_env_methods.mod pw_poisson_methods.mod base_hooks.mod qs_linres_kernel.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ec_orth_solver.mod' due to: ec_orth_solver.o /build/reproducible-path/cp2k-2023.1/src/ec_orth_solver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod qs_linres_types.mod cp_control_types.mod qs_kpp1_env_types.mod pw_types.mod admm_types.mod cp_para_types.mod qs_p_env_types.mod pw_pool_types.mod pw_poisson_types.mod qs_rho_types.mod input_section_types.mod pw_poisson_methods.mod cp_external_control.mod cp_dbcsr_operations.mod pw_methods.mod mathlib.mod xc.mod ec_methods.mod qs_integrate_potential.mod qs_linres_kernel.mod kinds.mod iterate_matrix.mod input_constants.mod base_hooks.mod machine.mod qs_p_env_methods.mod kg_correction.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'response_solver.o' due to: /build/reproducible-path/cp2k-2023.1/src/response_solver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod xtb_types.mod pw_poisson_types.mod exstates_types.mod qs_environment_types.mod pw_grid_types.mod cell_types.mod particle_types.mod virial_types.mod qs_mo_types.mod cp_para_types.mod qs_force_types.mod kg_environment_types.mod qs_ks_types.mod pw_pool_types.mod admm_types.mod pw_types.mod hfx_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod qs_energy_types.mod qs_rho_types.mod qs_p_env_types.mod cp_fm_types.mod qs_kind_types.mod hfx_ri.mod kg_tnadd_mat.mod kg_correction.mod qs_integrate_potential.mod qs_rho0_ggrid.mod qs_density_matrices.mod qs_ks_methods.mod virial_methods.mod qs_kinetic.mod core_ppl.mod cp_dbcsr_operations.mod ec_orth_solver.mod input_constants.mod xtb_matrices.mod xtb_ehess_force.mod qs_2nd_kernel_ao.mod cp_blacs_env.mod qs_collocate_density.mod parallel_gemm_api.mod hfx_energy_potential.mod core_ae.mod physcon.mod pw_methods.mod mathlib.mod xtb_ehess.mod qs_overlap.mod kinds.mod qs_p_env_methods.mod pw_poisson_methods.mod qs_linres_methods.mod mulliken.mod cp_dbcsr_cp2k_link.mod base_hooks.mod cp_log_handling.mod admm_methods.mod ec_methods.mod machine.mod cp_fm_struct.mod qs_core_energies.mod qs_ks_atom.mod qs_mo_methods.mod message_passing.mod qs_matrix_pools.mod hfx_derivatives.mod core_ppnl.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'response_solver.o' due to: /build/reproducible-path/cp2k-2023.1/src/response_solver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_neighbor_list_types.mod ec_env_types.mod exstates_types.mod virial_types.mod kg_environment_types.mod pw_pool_types.mod particle_types.mod cp_fm_types.mod qs_force_types.mod qs_energy_types.mod qs_mo_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod atomic_kind_types.mod qs_environment_types.mod task_list_types.mod pw_types.mod hfx_types.mod admm_types.mod xtb_types.mod qs_p_env_types.mod pw_grid_types.mod pw_env_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod cp_para_types.mod pw_poisson_types.mod qs_collocate_density.mod hfx_ri.mod qs_core_energies.mod qs_2nd_kernel_ao.mod qs_integrate_potential.mod input_constants.mod physcon.mod base_hooks.mod core_ppl.mod xtb_matrices.mod cp_dbcsr_operations.mod admm_methods.mod qs_ks_atom.mod ec_orth_solver.mod pw_methods.mod message_passing.mod qs_mo_methods.mod cp_fm_struct.mod qs_density_matrices.mod xtb_ehess_force.mod pw_poisson_methods.mod qs_rho0_ggrid.mod core_ppnl.mod qs_vxc.mod xtb_ehess.mod cp_log_handling.mod kinds.mod qs_linres_methods.mod qs_p_env_methods.mod parallel_gemm_api.mod qs_matrix_pools.mod mulliken.mod cp_dbcsr_cp2k_link.mod virial_methods.mod qs_overlap.mod mathlib.mod ec_methods.mod core_ae.mod hfx_derivatives.mod kg_tnadd_mat.mod hfx_energy_potential.mod machine.mod cp_blacs_env.mod qs_ks_methods.mod qs_kinetic.mod kg_correction.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/response_solver.F response_solver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' response_solver.F90 -/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2383:50: - - 2383 | DEALLOCATE (op_sm_set_qs, op_sm_set_almo) - | ^ -Warning: 'op_sm_set_almo.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2042:74: - - 2042 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: op_sm_set_almo, op_sm_set_qs - | ^ -note: 'op_sm_set_almo.data' was declared here -/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2047:64: - - 2047 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 - | ^ -Warning: 'm_b0.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2926:36: - - 2926 | DO idim0 = 1, SIZE(m_B0, 2) - | ^ -Warning: 'm_b0.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2047:64: - - 2047 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 - | ^ -note: 'm_b0.dim[1].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2928:59: - - 2928 | CALL dbcsr_release(m_B0(reim, idim0, ispin)) - | ^ -Warning: 'm_b0.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2047:64: - - 2047 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 - | ^ -note: 'm_b0.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2047:64: Warning: 'm_b0.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_cphf.mod' due to: mp2_cphf.o /build/reproducible-path/cp2k-2023.1/src/mp2_cphf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod virial_types.mod qs_rho_types.mod hfx_types.mod qs_dispersion_types.mod pw_poisson_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod mp2_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod admm_types.mod particle_types.mod pw_types.mod hfx_ri.mod cp_log_handling.mod admm_methods.mod core_ppl.mod cp_output_handling.mod pw_methods.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_integrate_potential.mod qs_overlap.mod rpa_hfx.mod input_constants.mod kinds.mod qs_p_env_methods.mod qs_ks_reference.mod mathconstants.mod qs_2nd_kernel_ao.mod cp_blacs_env.mod qs_density_matrices.mod cp_fm_basic_linalg.mod pw_poisson_methods.mod qs_dispersion_pairpot.mod hfx_admm_utils.mod linear_systems.mod message_passing.mod kahan_sum.mod parallel_gemm_api.mod hfx_derivatives.mod qs_kinetic.mod core_ppnl.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:18 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' response_solver.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dcdr.mod' due to: qs_dcdr.o /build/reproducible-path/cp2k-2023.1/src/qs_dcdr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod qs_kind_types.mod qs_p_env_types.mod particle_types.mod cell_types.mod input_section_types.mod parallel_gemm_api.mod cp_array_utils.mod qs_dcdr_utils.mod cp_dbcsr_operations.mod qs_moments.mod qs_dcdr_ao.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod cp_output_handling.mod base_hooks.mod qs_linres_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_polar_utils.mod' due to: qs_linres_polar_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod qs_p_env_types.mod cp_fm_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod qs_linres_types.mod cell_types.mod bibliography.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod cp_fm_struct.mod kinds.mod cp_result_methods.mod mathconstants.mod cp_fm_basic_linalg.mod qs_linres_methods.mod qs_matrix_pools.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_polar_utils.mod' due to: qs_linres_polar_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_polar_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_environment_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_mo_types.mod cp_result_types.mod cp_para_types.mod qs_p_env_types.mod cell_types.mod input_section_types.mod qs_matrix_pools.mod bibliography.mod cp_result_methods.mod mathconstants.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_linres_methods.mod cp_fm_struct.mod machine.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_energies.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_energies.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod barostat_types.mod thermal_region_types.mod cp_para_types.mod qmmm_types.mod atomic_kind_types.mod input_enumeration_types.mod simpar_types.mod thermostat_types.mod cp_subsys_types.mod averages_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod md_ener_types.mod input_keyword_types.mod cell_types.mod atomic_kind_list_types.mod reftraj_types.mod barostat_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod particle_methods.mod machine.mod qs_linres_polar_utils.mod cp_units.mod input_constants.mod md_conserved_quantities.mod kinds.mod thermostat_utils.mod input_cp2k_md.mod motion_utils.mod message_passing.mod thermal_region_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_energies.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_energies.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod reftraj_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod atomic_kind_list_types.mod thermal_region_types.mod virial_types.mod cp_para_types.mod md_ener_types.mod cp_subsys_types.mod qmmm_types.mod input_keyword_types.mod cell_types.mod input_enumeration_types.mod particle_list_types.mod barostat_types.mod averages_types.mod input_section_types.mod qs_linres_polar_utils.mod cp_units.mod barostat_utils.mod thermal_region_utils.mod message_passing.mod thermostat_utils.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod input_cp2k_md.mod cp_output_handling.mod motion_utils.mod base_hooks.mod particle_methods.mod machine.mod md_conserved_quantities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_energies.F md_energies.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_dcdr.mod' due to: qs_dcdr.o /build/reproducible-path/cp2k-2023.1/src/qs_dcdr.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_p_env_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_dcdr_utils.mod cp_output_handling.mod cp_dbcsr_operations.mod kinds.mod cp_array_utils.mod qs_moments.mod cp_fm_basic_linalg.mod qs_dcdr_ao.mod qs_linres_methods.mod parallel_gemm_api.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_energies.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_cphf.mod' due to: mp2_cphf.o /build/reproducible-path/cp2k-2023.1/src/mp2_cphf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_dispersion_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_force_types.mod qs_linres_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod pw_types.mod hfx_types.mod qs_mo_types.mod task_list_types.mod virial_types.mod input_section_types.mod admm_types.mod cp_para_types.mod qs_p_env_types.mod pw_pool_types.mod pw_poisson_types.mod particle_types.mod cell_types.mod qs_rho_types.mod cp_fm_types.mod core_ppl.mod parallel_gemm_api.mod pw_poisson_methods.mod qs_p_env_methods.mod core_ppnl.mod linear_systems.mod cp_dbcsr_operations.mod hfx_ri.mod admm_methods.mod mathconstants.mod qs_overlap.mod pw_methods.mod qs_2nd_kernel_ao.mod message_passing.mod qs_integrate_potential.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod hfx_derivatives.mod kinds.mod input_constants.mod qs_ks_reference.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod qs_density_matrices.mod machine.mod cp_blacs_env.mod rpa_hfx.mod hfx_admm_utils.mod qs_dispersion_pairpot.mod qs_kinetic.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_energies.F90 /build/reproducible-path/cp2k-2023.1/src/pao_methods.F:1023:32: 1023 | block_X(i, j) = old_Xij @@ -62592,11 +62592,47 @@ 595 | istate, istate2, istate_next, ix, iy, iz, j, jstate, k, max_nbr_center, max_states, n, & | ^ note: 'istate_next' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_methods.mod' due to: pao_methods.o /build/reproducible-path/cp2k-2023.1/src/pao_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod pao_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_ks_types.mod qs_environment_types.mod dm_ls_scf_types.mod qs_kind_types.mod basis_set_types.mod particle_types.mod bibliography.mod cp_log_handling.mod machine.mod mathlib.mod ao_util.mod pao_ml.mod iterate_matrix.mod dm_ls_scf_methods.mod kinds.mod qs_rho_methods.mod qs_ks_methods.mod message_passing.mod dm_ls_scf_qs.mod pao_param.mod qs_initial_guess.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_methods.mod' due to: pao_methods.o /build/reproducible-path/cp2k-2023.1/src/pao_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod basis_set_types.mod pao_types.mod qs_energy_types.mod qs_kind_types.mod dm_ls_scf_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod qs_rho_methods.mod pao_ml.mod bibliography.mod mathlib.mod message_passing.mod dm_ls_scf_methods.mod cp_log_handling.mod kinds.mod iterate_matrix.mod qs_initial_guess.mod dm_ls_scf_qs.mod base_hooks.mod machine.mod qs_ks_methods.mod ao_util.mod pao_param.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod input_section_types.mod pao_types.mod qs_environment_types.mod bibliography.mod pao_io.mod pao_ml.mod linesearch.mod pao_methods.mod pao_input.mod pao_param.mod kinds.mod base_hooks.mod cp_external_control.mod pao_optimizer.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pao_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/pao_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod base_hooks.mod pao_optimizer.mod pao_ml.mod pao_methods.mod machine.mod pao_io.mod kinds.mod cp_external_control.mod linesearch.mod bibliography.mod pao_param.mod pao_input.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/pao_main.F pao_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:39:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:20 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pao_main.F90 +/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2383:50: + + 2383 | DEALLOCATE (op_sm_set_qs, op_sm_set_almo) + | ^ +Warning: 'op_sm_set_almo.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2042:74: + + 2042 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: op_sm_set_almo, op_sm_set_qs + | ^ +note: 'op_sm_set_almo.data' was declared here +/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2047:64: + + 2047 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 + | ^ +Warning: 'm_b0.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2926:36: + + 2926 | DO idim0 = 1, SIZE(m_B0, 2) + | ^ +Warning: 'm_b0.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2047:64: + + 2047 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 + | ^ +note: 'm_b0.dim[1].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2928:59: + + 2928 | CALL dbcsr_release(m_B0(reim, idim0, ispin)) + | ^ +Warning: 'm_b0.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2047:64: + + 2047 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 + | ^ +note: 'm_b0.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:2047:64: Warning: 'm_b0.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/motion/md_energies.F:362:46: 362 | (simpar%v0 - cell%deth) @@ -62607,20 +62643,25 @@ 265 | pv_scalar, pv_xx, pv_xx_nc | ^ note: 'pv_xx_nc' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_main.mod' due to: pao_main.o /build/reproducible-path/cp2k-2023.1/src/pao_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pao_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod base_hooks.mod pao_optimizer.mod pao_ml.mod pao_methods.mod machine.mod pao_io.mod kinds.mod cp_external_control.mod linesearch.mod bibliography.mod pao_param.mod pao_input.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_create.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_environment_types.mod pexsi_types.mod cp_control_types.mod qs_density_mixing_types.mod dm_ls_scf_types.mod input_keyword_types.mod particle_types.mod input_enumeration_types.mod input_section_types.mod pao_main.mod bibliography.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod cp_para_env.mod machine.mod pexsi_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_create.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_issc_utils.mod' due to: qs_linres_issc_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod qs_p_env_types.mod particle_types.mod cell_types.mod input_section_types.mod qs_matrix_pools.mod qs_fermi_contact.mod qs_spin_orbit.mod qs_elec_field.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod memory_utilities.mod mathlib.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_linres_methods.mod cp_fm_struct.mod particle_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_energies.mod' due to: md_energies.o /build/reproducible-path/cp2k-2023.1/src/motion/md_energies.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod reftraj_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod atomic_kind_list_types.mod thermal_region_types.mod virial_types.mod cp_para_types.mod md_ener_types.mod cp_subsys_types.mod qmmm_types.mod input_keyword_types.mod cell_types.mod input_enumeration_types.mod particle_list_types.mod barostat_types.mod averages_types.mod input_section_types.mod qs_linres_polar_utils.mod cp_units.mod barostat_utils.mod thermal_region_utils.mod message_passing.mod thermostat_utils.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod input_cp2k_md.mod cp_output_handling.mod motion_utils.mod base_hooks.mod particle_methods.mod machine.mod md_conserved_quantities.mod +true /build/reproducible-path/cp2k-2023.1/src/response_solver.F:2338:30: 2338 | SUBROUTINE ks_ref_potential(qs_env, vh_rspace, vxc_rspace, vtau_rspace, vadmm_rspace, ehartree, exc, h_stress) | ^ Warning: 'ks_ref_potential' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pao_main.mod' due to: pao_main.o /build/reproducible-path/cp2k-2023.1/src/pao_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 dm_ls_scf_types.mod input_section_types.mod pao_types.mod qs_environment_types.mod bibliography.mod pao_io.mod pao_ml.mod linesearch.mod pao_methods.mod pao_input.mod pao_param.mod kinds.mod base_hooks.mod cp_external_control.mod pao_optimizer.mod machine.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf_create.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pexsi_types.mod cp_control_types.mod input_enumeration_types.mod molecule_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod input_keyword_types.mod particle_types.mod qs_density_mixing_types.mod bibliography.mod cp_log_handling.mod machine.mod pao_main.mod pexsi_methods.mod input_constants.mod kinds.mod cp_para_env.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf_create.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_issc_utils.mod' due to: qs_linres_issc_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_issc_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_p_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod qs_fermi_contact.mod physcon.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod qs_spin_orbit.mod kinds.mod qs_elec_field.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_linres_methods.mod qs_matrix_pools.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_energies.mod' due to: md_energies.o /build/reproducible-path/cp2k-2023.1/src/motion/md_energies.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod barostat_types.mod thermal_region_types.mod cp_para_types.mod qmmm_types.mod atomic_kind_types.mod input_enumeration_types.mod simpar_types.mod thermostat_types.mod cp_subsys_types.mod averages_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod md_ener_types.mod input_keyword_types.mod cell_types.mod atomic_kind_list_types.mod reftraj_types.mod barostat_utils.mod cp_log_handling.mod physcon.mod cp_output_handling.mod particle_methods.mod machine.mod qs_linres_polar_utils.mod cp_units.mod input_constants.mod md_conserved_quantities.mod kinds.mod thermostat_utils.mod input_cp2k_md.mod motion_utils.mod message_passing.mod thermal_region_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_current_utils.mod' due to: qs_linres_current_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_linres_types.mod realspace_grid_types.mod cp_control_types.mod qs_loc_types.mod qs_kind_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod qs_p_env_types.mod pw_pool_types.mod particle_types.mod cell_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_matrix_pools.mod cp_array_utils.mod cp_dbcsr_cp2k_link.mod qs_loc_methods.mod cp_dbcsr_operations.mod memory_utilities.mod pw_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_linres_methods.mod cp_fm_struct.mod particle_methods.mod qs_linres_op.mod qs_operators_ao.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_module.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_module.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_environment_types.mod qs_linres_types.mod cp_control_types.mod qs_mo_types.mod qs_p_env_types.mod qs_rho_types.mod input_section_types.mod qs_linres_epr_utils.mod qs_rho_methods.mod qs_linres_epr_nablavks.mod qs_linres_epr_ownutils.mod qs_dcdr.mod qs_dcdr_utils.mod bibliography.mod qs_linres_nmr_utils.mod qs_linres_polar_utils.mod qs_linres_current.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod qs_linres_issc_utils.mod base_hooks.mod qs_linres_op.mod qs_linres_methods.mod qs_density_matrices.mod qs_linres_current_utils.mod qs_linres_nmr_shift.mod qs_p_env_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_module.F qs_linres_module.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_module.F90 /build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F:1209:78: 1209 | DO idim0 = 1, SIZE(op_sm_set_qs, 2) ! this loop is over miller ind @@ -62721,11 +62762,6 @@ 891 | energy_new, energy_old, eps_skip_gradients, fval, g0, g1, grad_norm, grad_norm_frob, & | ^ note: 'g0' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_current_utils.mod' due to: qs_linres_current_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_current_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_rho_types.mod qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod qs_p_env_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod pw_pool_types.mod qs_linres_types.mod qs_kind_types.mod cell_types.mod particle_types.mod pw_types.mod realspace_grid_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod particle_methods.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_array_utils.mod qs_operators_ao.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_linres_methods.mod qs_loc_methods.mod qs_linres_op.mod qs_matrix_pools.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_linres_module.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_linres_module.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod qs_p_env_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod qs_linres_types.mod qs_linres_epr_ownutils.mod qs_linres_issc_utils.mod qs_linres_nmr_shift.mod bibliography.mod qs_linres_nmr_utils.mod qs_linres_epr_nablavks.mod cp_log_handling.mod qs_dcdr.mod qs_dcdr_utils.mod cp_output_handling.mod qs_linres_polar_utils.mod qs_linres_current_utils.mod input_constants.mod qs_linres_current.mod kinds.mod qs_p_env_methods.mod qs_rho_methods.mod qs_linres_epr_utils.mod qs_density_matrices.mod qs_linres_methods.mod qs_linres_op.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_linres_module.F qs_linres_module.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_linres_module.F90 /build/reproducible-path/cp2k-2023.1/src/response_solver.F:2042:26: 2042 | zexc = zexc + exc @@ -62746,23 +62782,23 @@ 844 | eps_ppnl, exc, exc_aux_fit, fconv, focc | ^ note: 'exc_aux_fit' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_module.mod' due to: qs_linres_module.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_module.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod qs_p_env_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod qs_linres_types.mod qs_linres_epr_ownutils.mod qs_linres_issc_utils.mod qs_linres_nmr_shift.mod bibliography.mod qs_linres_nmr_utils.mod qs_linres_epr_nablavks.mod cp_log_handling.mod qs_dcdr.mod qs_dcdr_utils.mod cp_output_handling.mod qs_linres_polar_utils.mod qs_linres_current_utils.mod input_constants.mod qs_linres_current.mod kinds.mod qs_p_env_methods.mod qs_rho_methods.mod qs_linres_epr_utils.mod qs_density_matrices.mod qs_linres_methods.mod qs_linres_op.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_linres_module.mod' due to: qs_linres_module.o /build/reproducible-path/cp2k-2023.1/src/qs_linres_module.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_environment_types.mod qs_linres_types.mod cp_control_types.mod qs_mo_types.mod qs_p_env_types.mod qs_rho_types.mod input_section_types.mod qs_linres_epr_utils.mod qs_rho_methods.mod qs_linres_epr_nablavks.mod qs_linres_epr_ownutils.mod qs_dcdr.mod qs_dcdr_utils.mod bibliography.mod qs_linres_nmr_utils.mod qs_linres_polar_utils.mod qs_linres_current.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod qs_linres_issc_utils.mod base_hooks.mod qs_linres_op.mod qs_linres_methods.mod qs_density_matrices.mod qs_linres_current_utils.mod qs_linres_nmr_shift.mod qs_p_env_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_optimizer.mod' due to: almo_scf_optimizer.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod almo_scf_types.mod cp_para_types.mod qs_environment_types.mod almo_scf_lbfgs_types.mod almo_scf_diis_types.mod input_section_types.mod ct_types.mod domain_submatrix_types.mod qs_kind_types.mod cell_types.mod particle_types.mod domain_submatrix_methods.mod cp_log_handling.mod qs_localization_methods.mod cp_output_handling.mod cp_external_control.mod particle_methods.mod qs_loc_utils.mod cp_files.mod machine.mod iterate_matrix.mod input_constants.mod kinds.mod ct_methods.mod almo_scf_methods.mod cp_blacs_env.mod message_passing.mod almo_scf_qs.mod cp_dbcsr_cholesky.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf_optimizer.mod' due to: almo_scf_optimizer.o /build/reproducible-path/cp2k-2023.1/src/almo_scf_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod almo_scf_lbfgs_types.mod qs_energy_types.mod ct_types.mod qs_kind_types.mod almo_scf_diis_types.mod cp_para_types.mod almo_scf_types.mod domain_submatrix_types.mod particle_types.mod cell_types.mod input_section_types.mod qs_loc_utils.mod qs_localization_methods.mod cp_external_control.mod cp_files.mod domain_submatrix_methods.mod almo_scf_methods.mod cp_dbcsr_cholesky.mod ct_methods.mod message_passing.mod cp_log_handling.mod kinds.mod iterate_matrix.mod input_constants.mod cp_output_handling.mod base_hooks.mod particle_methods.mod almo_scf_qs.mod machine.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_create.mod' due to: dm_ls_scf_create.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pexsi_types.mod cp_control_types.mod input_enumeration_types.mod molecule_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod input_keyword_types.mod particle_types.mod qs_density_mixing_types.mod bibliography.mod cp_log_handling.mod machine.mod pao_main.mod pexsi_methods.mod input_constants.mod kinds.mod cp_para_env.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf_create.mod' due to: dm_ls_scf_create.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf_create.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_environment_types.mod pexsi_types.mod cp_control_types.mod qs_density_mixing_types.mod dm_ls_scf_types.mod input_keyword_types.mod particle_types.mod input_enumeration_types.mod input_section_types.mod pao_main.mod bibliography.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod cp_para_env.mod machine.mod pexsi_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod scf_control_types.mod xtb_types.mod qs_dispersion_types.mod exstates_types.mod cp_subsys_types.mod qs_environment_types.mod mp2_types.mod distribution_1d_types.mod molecule_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod qs_mo_types.mod cp_para_types.mod qs_force_types.mod semi_empirical_mpole_types.mod rel_control_types.mod qs_ks_types.mod lri_environment_types.mod ewald_pw_types.mod qs_rho_atom_types.mod semi_empirical_types.mod external_potential_types.mod qs_wf_history_types.mod global_types.mod fist_nonbond_env_types.mod qs_gcp_types.mod hfx_types.mod cp_control_types.mod ewald_environment_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod qs_dftb_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod semi_empirical_store_int_types.mod qs_energy_types.mod et_coupling_types.mod qmmm_types_low.mod multipole_types.mod cp_ddapc_types.mod qs_kind_types.mod basis_set_container_types.mod bibliography.mod qs_rho0_ggrid.mod semi_empirical_int_arrays.mod qs_rho0_methods.mod transport.mod semi_empirical_utils.mod lri_environment_init.mod qs_dispersion_pairpot.mod cp_control_utils.mod qs_dftb_parameters.mod dm_ls_scf_create.mod ec_environment.mod particle_methods.mod auto_basis.mod input_constants.mod qs_rho_atom_methods.mod mathconstants.mod cp_blacs_env.mod semi_empirical_mpole_methods.mod almo_scf_env_methods.mod qs_environment_methods.mod hartree_local_methods.mod cp_output_handling.mod qs_dispersion_nonloc.mod distribution_methods.mod qs_gcp_utils.mod kinds.mod kpoint_methods.mod orbital_pointers.mod base_hooks.mod qs_interactions.mod qs_wf_history_methods.mod qs_dispersion_utils.mod cp_log_handling.mod qs_subsys_methods.mod machine.mod cp_symmetry.mod gamma.mod mp2_setup.mod header.mod kg_environment.mod ewald_pw_methods.mod cp_para_env.mod orbital_transformation_matrices.mod xtb_parameters.mod semi_empirical_expns3_methods.mod atom_kind_orbitals.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_environment.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_environment.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod qs_ks_types.mod qs_rho_atom_types.mod ec_env_types.mod exstates_types.mod molecule_kind_types.mod lri_environment_types.mod qs_dftb_types.mod global_types.mod particle_types.mod basis_set_container_types.mod qs_force_types.mod distribution_1d_types.mod mp2_types.mod semi_empirical_store_int_types.mod qs_energy_types.mod ewald_pw_types.mod qs_mo_types.mod external_potential_types.mod cell_types.mod scf_control_types.mod input_section_types.mod rel_control_types.mod atomic_kind_types.mod qs_environment_types.mod qs_wf_history_types.mod multipole_types.mod basis_set_types.mod qs_gcp_types.mod hfx_types.mod semi_empirical_mpole_types.mod xtb_types.mod kpoint_types.mod ewald_environment_types.mod qs_subsys_types.mod pw_env_types.mod molecule_types.mod qs_dispersion_types.mod qs_rho0_types.mod cp_control_types.mod qs_kind_types.mod semi_empirical_types.mod et_coupling_types.mod cp_para_types.mod qmmm_types_low.mod cp_subsys_types.mod qs_local_rho_types.mod cp_ddapc_types.mod qs_dispersion_nonloc.mod qs_dispersion_utils.mod bibliography.mod dm_ls_scf_create.mod transport.mod mathconstants.mod distribution_methods.mod qs_interactions.mod semi_empirical_utils.mod qs_gcp_utils.mod qs_rho0_methods.mod input_constants.mod cp_output_handling.mod base_hooks.mod particle_methods.mod kpoint_methods.mod kg_environment.mod semi_empirical_int_arrays.mod lri_environment_init.mod auto_basis.mod qs_wf_history_methods.mod atom_kind_orbitals.mod hartree_local_methods.mod qs_environment_methods.mod qs_rho0_ggrid.mod gamma.mod ewald_pw_methods.mod qs_dftb_parameters.mod semi_empirical_mpole_methods.mod cp_log_handling.mod kinds.mod orbital_pointers.mod qs_rho_atom_methods.mod cp_symmetry.mod qs_dispersion_pairpot.mod header.mod xtb_parameters.mod mp2_setup.mod almo_scf_env_methods.mod cp_control_utils.mod qs_subsys_methods.mod semi_empirical_expns3_methods.mod orbital_transformation_matrices.mod cp_para_env.mod machine.mod cp_blacs_env.mod ec_environment.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_environment.F qs_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:06 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_environment.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'response_solver.mod' due to: response_solver.o /build/reproducible-path/cp2k-2023.1/src/response_solver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod xtb_types.mod pw_poisson_types.mod exstates_types.mod qs_environment_types.mod pw_grid_types.mod cell_types.mod particle_types.mod virial_types.mod qs_mo_types.mod cp_para_types.mod qs_force_types.mod kg_environment_types.mod qs_ks_types.mod pw_pool_types.mod admm_types.mod pw_types.mod hfx_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod qs_energy_types.mod qs_rho_types.mod qs_p_env_types.mod cp_fm_types.mod qs_kind_types.mod hfx_ri.mod kg_tnadd_mat.mod kg_correction.mod qs_integrate_potential.mod qs_rho0_ggrid.mod qs_density_matrices.mod qs_ks_methods.mod virial_methods.mod qs_kinetic.mod core_ppl.mod cp_dbcsr_operations.mod ec_orth_solver.mod input_constants.mod xtb_matrices.mod xtb_ehess_force.mod qs_2nd_kernel_ao.mod cp_blacs_env.mod qs_collocate_density.mod parallel_gemm_api.mod hfx_energy_potential.mod core_ae.mod physcon.mod pw_methods.mod mathlib.mod xtb_ehess.mod qs_overlap.mod kinds.mod qs_p_env_methods.mod pw_poisson_methods.mod qs_linres_methods.mod mulliken.mod cp_dbcsr_cp2k_link.mod base_hooks.mod cp_log_handling.mod admm_methods.mod ec_methods.mod machine.mod cp_fm_struct.mod qs_core_energies.mod qs_ks_atom.mod qs_mo_methods.mod message_passing.mod qs_matrix_pools.mod hfx_derivatives.mod core_ppnl.mod qs_vxc.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_environment.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'response_solver.mod' due to: response_solver.o /build/reproducible-path/cp2k-2023.1/src/response_solver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_neighbor_list_types.mod ec_env_types.mod exstates_types.mod virial_types.mod kg_environment_types.mod pw_pool_types.mod particle_types.mod cp_fm_types.mod qs_force_types.mod qs_energy_types.mod qs_mo_types.mod cell_types.mod qs_rho_types.mod input_section_types.mod atomic_kind_types.mod qs_environment_types.mod task_list_types.mod pw_types.mod hfx_types.mod admm_types.mod xtb_types.mod qs_p_env_types.mod pw_grid_types.mod pw_env_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod cp_para_types.mod pw_poisson_types.mod qs_collocate_density.mod hfx_ri.mod qs_core_energies.mod qs_2nd_kernel_ao.mod qs_integrate_potential.mod input_constants.mod physcon.mod base_hooks.mod core_ppl.mod xtb_matrices.mod cp_dbcsr_operations.mod admm_methods.mod qs_ks_atom.mod ec_orth_solver.mod pw_methods.mod message_passing.mod qs_mo_methods.mod cp_fm_struct.mod qs_density_matrices.mod xtb_ehess_force.mod pw_poisson_methods.mod qs_rho0_ggrid.mod core_ppnl.mod qs_vxc.mod xtb_ehess.mod cp_log_handling.mod kinds.mod qs_linres_methods.mod qs_p_env_methods.mod parallel_gemm_api.mod qs_matrix_pools.mod mulliken.mod cp_dbcsr_cp2k_link.mod virial_methods.mod qs_overlap.mod mathlib.mod ec_methods.mod core_ae.mod hfx_derivatives.mod kg_tnadd_mat.mod hfx_energy_potential.mod machine.mod cp_blacs_env.mod qs_ks_methods.mod qs_kinetic.mod kg_correction.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'excited_states.o' due to: /build/reproducible-path/cp2k-2023.1/src/excited_states.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exstates_types.mod qs_force_types.mod qs_energy_types.mod atomic_kind_types.mod qs_p_env_types.mod qs_environment_types.mod cp_control_types.mod ex_property_calculation.mod cp_log_handling.mod response_solver.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'excited_states.o' due to: /build/reproducible-path/cp2k-2023.1/src/excited_states.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod exstates_types.mod qs_p_env_types.mod cp_control_types.mod base_hooks.mod response_solver.mod ex_property_calculation.mod cp_log_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/excited_states.F excited_states.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_im_time_force_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod qs_environment_types.mod mp2_types.mod basis_set_types.mod cell_types.mod particle_types.mod realspace_grid_types.mod virial_types.mod qs_mo_types.mod cp_para_types.mod qs_force_types.mod qs_ks_types.mod pw_pool_types.mod admm_types.mod distribution_2d_types.mod pw_types.mod hfx_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod rpa_im_time_force_types.mod qs_rho_types.mod qs_p_env_types.mod cp_fm_types.mod qs_kind_types.mod hfx_ri.mod qs_integral_utils.mod qs_energy_matrix_w.mod ao_util.mod qs_integrate_potential.mod iterate_matrix.mod cp_dbcsr_diag.mod cp_eri_mme_interface.mod qs_density_matrices.mod qs_ks_methods.mod cp_dbcsr_cholesky.mod qs_kinetic.mod core_ppl.mod particle_methods.mod cp_dbcsr_operations.mod input_constants.mod gaussian_gridlevels.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod hfx_admm_utils.mod parallel_gemm_api.mod pw_methods.mod qs_overlap.mod rpa_hfx.mod kinds.mod response_solver.mod qs_p_env_methods.mod dbt_api.mod mp2_eri_gpw.mod pw_poisson_methods.mod orbital_pointers.mod base_hooks.mod qs_interactions.mod mp2_eri.mod rpa_im_time.mod admm_methods.mod ec_methods.mod libint_2c_3c.mod machine.mod cp_fm_struct.mod rs_pw_interface.mod qs_ks_reference.mod cp_para_env.mod message_passing.mod hfx_derivatives.mod core_ppnl.mod qs_tensors.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_im_time_force_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_neighbor_list_types.mod virial_types.mod pw_pool_types.mod particle_types.mod cp_fm_types.mod qs_force_types.mod mp2_types.mod qs_mo_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod task_list_types.mod pw_types.mod hfx_types.mod admm_types.mod qs_p_env_types.mod pw_env_types.mod qs_linres_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod rpa_im_time_force_types.mod cp_para_types.mod pw_poisson_types.mod qs_tensors_types.mod qs_collocate_density.mod hfx_ri.mod mathconstants.mod qs_interactions.mod dbt_api.mod qs_integrate_potential.mod input_constants.mod base_hooks.mod particle_methods.mod qs_integral_utils.mod core_ppl.mod cp_dbcsr_operations.mod admm_methods.mod response_solver.mod pw_methods.mod message_passing.mod mp2_eri.mod cp_fm_struct.mod qs_density_matrices.mod pw_poisson_methods.mod core_ppnl.mod mp2_eri_gpw.mod cp_dbcsr_cholesky.mod gaussian_gridlevels.mod kinds.mod iterate_matrix.mod orbital_pointers.mod rpa_im_time.mod cp_dbcsr_diag.mod rpa_hfx.mod hfx_admm_utils.mod ao_util.mod qs_p_env_methods.mod parallel_gemm_api.mod cp_eri_mme_interface.mod qs_energy_matrix_w.mod rs_pw_interface.mod qs_overlap.mod qs_tensors.mod ec_methods.mod hfx_derivatives.mod libint_2c_3c.mod qs_ks_reference.mod cp_para_env.mod machine.mod cp_blacs_env.mod qs_ks_methods.mod qs_kinetic.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_methods.F rpa_im_time_force_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"excited_states.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' excited_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:09 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_im_time_force_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"excited_states.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' excited_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_im_time_force_methods.F90 /build/reproducible-path/cp2k-2023.1/src/qs_environment.F:1243:87: 1243 | dispersion_env%parameter_file_name = dftb_control%dispersion_parameter_file @@ -62788,7 +62824,7 @@ 1330 | dispersion_env%parameter_file_name = se_control%dispersion_parameter_file | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'excited_states.mod' due to: excited_states.o /build/reproducible-path/cp2k-2023.1/src/excited_states.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 exstates_types.mod qs_force_types.mod qs_energy_types.mod atomic_kind_types.mod qs_p_env_types.mod qs_environment_types.mod cp_control_types.mod ex_property_calculation.mod cp_log_handling.mod response_solver.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'excited_states.mod' due to: excited_states.o /build/reproducible-path/cp2k-2023.1/src/excited_states.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod exstates_types.mod qs_p_env_types.mod cp_control_types.mod base_hooks.mod response_solver.mod ex_property_calculation.mod cp_log_handling.mod true /build/reproducible-path/cp2k-2023.1/src/qs_environment.F:989:19: @@ -62810,54 +62846,43 @@ 540 | TYPE(dftb_control_type), POINTER :: dftb_control | ^ note: 'dftb_control' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_environment.mod' due to: qs_environment.o /build/reproducible-path/cp2k-2023.1/src/qs_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod scf_control_types.mod xtb_types.mod qs_dispersion_types.mod exstates_types.mod cp_subsys_types.mod qs_environment_types.mod mp2_types.mod distribution_1d_types.mod molecule_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod qs_mo_types.mod cp_para_types.mod qs_force_types.mod semi_empirical_mpole_types.mod rel_control_types.mod qs_ks_types.mod lri_environment_types.mod ewald_pw_types.mod qs_rho_atom_types.mod semi_empirical_types.mod external_potential_types.mod qs_wf_history_types.mod global_types.mod fist_nonbond_env_types.mod qs_gcp_types.mod hfx_types.mod cp_control_types.mod ewald_environment_types.mod qs_local_rho_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod qs_dftb_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod semi_empirical_store_int_types.mod qs_energy_types.mod et_coupling_types.mod qmmm_types_low.mod multipole_types.mod cp_ddapc_types.mod qs_kind_types.mod basis_set_container_types.mod bibliography.mod qs_rho0_ggrid.mod semi_empirical_int_arrays.mod qs_rho0_methods.mod transport.mod semi_empirical_utils.mod lri_environment_init.mod qs_dispersion_pairpot.mod cp_control_utils.mod qs_dftb_parameters.mod dm_ls_scf_create.mod ec_environment.mod particle_methods.mod auto_basis.mod input_constants.mod qs_rho_atom_methods.mod mathconstants.mod cp_blacs_env.mod semi_empirical_mpole_methods.mod almo_scf_env_methods.mod qs_environment_methods.mod hartree_local_methods.mod cp_output_handling.mod qs_dispersion_nonloc.mod distribution_methods.mod qs_gcp_utils.mod kinds.mod kpoint_methods.mod orbital_pointers.mod base_hooks.mod qs_interactions.mod qs_wf_history_methods.mod qs_dispersion_utils.mod cp_log_handling.mod qs_subsys_methods.mod machine.mod cp_symmetry.mod gamma.mod mp2_setup.mod header.mod kg_environment.mod ewald_pw_methods.mod cp_para_env.mod orbital_transformation_matrices.mod xtb_parameters.mod semi_empirical_expns3_methods.mod atom_kind_orbitals.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_environment.mod' due to: qs_environment.o /build/reproducible-path/cp2k-2023.1/src/qs_environment.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod qs_ks_types.mod qs_rho_atom_types.mod ec_env_types.mod exstates_types.mod molecule_kind_types.mod lri_environment_types.mod qs_dftb_types.mod global_types.mod particle_types.mod basis_set_container_types.mod qs_force_types.mod distribution_1d_types.mod mp2_types.mod semi_empirical_store_int_types.mod qs_energy_types.mod ewald_pw_types.mod qs_mo_types.mod external_potential_types.mod cell_types.mod scf_control_types.mod input_section_types.mod rel_control_types.mod atomic_kind_types.mod qs_environment_types.mod qs_wf_history_types.mod multipole_types.mod basis_set_types.mod qs_gcp_types.mod hfx_types.mod semi_empirical_mpole_types.mod xtb_types.mod kpoint_types.mod ewald_environment_types.mod qs_subsys_types.mod pw_env_types.mod molecule_types.mod qs_dispersion_types.mod qs_rho0_types.mod cp_control_types.mod qs_kind_types.mod semi_empirical_types.mod et_coupling_types.mod cp_para_types.mod qmmm_types_low.mod cp_subsys_types.mod qs_local_rho_types.mod cp_ddapc_types.mod qs_dispersion_nonloc.mod qs_dispersion_utils.mod bibliography.mod dm_ls_scf_create.mod transport.mod mathconstants.mod distribution_methods.mod qs_interactions.mod semi_empirical_utils.mod qs_gcp_utils.mod qs_rho0_methods.mod input_constants.mod cp_output_handling.mod base_hooks.mod particle_methods.mod kpoint_methods.mod kg_environment.mod semi_empirical_int_arrays.mod lri_environment_init.mod auto_basis.mod qs_wf_history_methods.mod atom_kind_orbitals.mod hartree_local_methods.mod qs_environment_methods.mod qs_rho0_ggrid.mod gamma.mod ewald_pw_methods.mod qs_dftb_parameters.mod semi_empirical_mpole_methods.mod cp_log_handling.mod kinds.mod orbital_pointers.mod qs_rho_atom_methods.mod cp_symmetry.mod qs_dispersion_pairpot.mod header.mod xtb_parameters.mod mp2_setup.mod almo_scf_env_methods.mod cp_control_utils.mod qs_subsys_methods.mod semi_empirical_expns3_methods.mod orbital_transformation_matrices.mod cp_para_env.mod machine.mod cp_blacs_env.mod ec_environment.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_create.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_create.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod fist_nonbond_env_types.mod cp_para_types.mod qmmm_types.mod pw_env_types.mod cp_subsys_types.mod qmmm_types_low.mod qs_environment_types.mod fist_environment_types.mod input_section_types.mod cell_types.mod bibliography.mod cp_log_handling.mod qmmm_pw_grid.mod cp_output_handling.mod qs_environment.mod input_constants.mod kinds.mod cell_methods.mod header.mod qmmm_init.mod fist_environment.mod cp_subsys_methods.mod qmmm_links_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_create.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_create.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod pw_env_types.mod qs_environment_types.mod global_types.mod cp_para_types.mod qmmm_types_low.mod fist_environment_types.mod cp_subsys_types.mod qmmm_types.mod cell_types.mod input_section_types.mod fist_environment.mod qs_environment.mod bibliography.mod qmmm_init.mod cell_methods.mod qmmm_pw_grid.mod cp_log_handling.mod kinds.mod input_constants.mod cp_subsys_methods.mod cp_output_handling.mod base_hooks.mod qmmm_links_methods.mod header.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_create.F qmmm_create.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gamma2kp.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod qs_scf_types.mod scf_control_types.mod input_section_types.mod qs_rho_types.mod kpoint_types.mod cp_subsys_types.mod qs_environment_types.mod cp_para_types.mod qs_environment.mod input_constants.mod kinds.mod qs_energy_init.mod qs_scf_initialization.mod base_hooks.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_gamma2kp.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod kpoint_types.mod qs_environment_types.mod qs_scf_types.mod qs_rho_types.mod scf_control_types.mod pw_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod qs_environment.mod qs_scf_initialization.mod kinds.mod input_constants.mod qs_ks_methods.mod qs_energy_init.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_gamma2kp.F qs_gamma2kp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:12 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:13 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gamma2kp.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gamma2kp.mod' due to: qs_gamma2kp.o /build/reproducible-path/cp2k-2023.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_types.mod qs_scf_types.mod scf_control_types.mod input_section_types.mod qs_rho_types.mod kpoint_types.mod cp_subsys_types.mod qs_environment_types.mod cp_para_types.mod qs_environment.mod input_constants.mod kinds.mod qs_energy_init.mod qs_scf_initialization.mod base_hooks.mod qs_ks_methods.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_wannier90.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_wannier90.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod particle_types.mod kpoint_types.mod cp_log_handling.mod physcon.mod qs_gamma2kp.mod cp_files.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod wannier90.mod mathconstants.mod cp_blacs_env.mod qs_moments.mod kpoint_methods.mod cp_para_env.mod message_passing.mod parallel_gemm_api.mod qs_scf_diagonalization.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_wannier90.F qs_wannier90.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_band_structure.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_band_structure.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod kpoint_types.mod cp_log_handling.mod physcon.mod qs_gamma2kp.mod cp_files.mod machine.mod string_utilities.mod cp_parser_methods.mod kinds.mod mathconstants.mod cp_blacs_env.mod kpoint_methods.mod cp_para_env.mod message_passing.mod qs_scf_diagonalization.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_band_structure.F qs_band_structure.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_wannier90.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_create.mod' due to: qmmm_create.o /build/reproducible-path/cp2k-2023.1/src/qmmm_create.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod fist_nonbond_env_types.mod cp_para_types.mod qmmm_types.mod pw_env_types.mod cp_subsys_types.mod qmmm_types_low.mod qs_environment_types.mod fist_environment_types.mod input_section_types.mod cell_types.mod bibliography.mod cp_log_handling.mod qmmm_pw_grid.mod cp_output_handling.mod qs_environment.mod input_constants.mod kinds.mod cell_methods.mod header.mod qmmm_init.mod fist_environment.mod cp_subsys_methods.mod qmmm_links_methods.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_gamma2kp.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_create.mod' due to: qmmm_create.o /build/reproducible-path/cp2k-2023.1/src/qmmm_create.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_nonbond_env_types.mod pw_env_types.mod qs_environment_types.mod global_types.mod cp_para_types.mod qmmm_types_low.mod fist_environment_types.mod cp_subsys_types.mod qmmm_types.mod cell_types.mod input_section_types.mod fist_environment.mod qs_environment.mod bibliography.mod qmmm_init.mod cell_methods.mod qmmm_pw_grid.mod cp_log_handling.mod kinds.mod input_constants.mod cp_subsys_methods.mod cp_output_handling.mod base_hooks.mod qmmm_links_methods.mod header.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_create.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_create.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_types.mod global_types.mod input_section_types.mod qmmmx_types.mod cp_subsys_types.mod cp_para_types.mod base_hooks.mod qmmm_create.mod qmmmx_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_create.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_create.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod global_types.mod qmmmx_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod qmmm_create.mod qmmmx_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmmx_create.F qmmmx_create.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_update.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_update.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_types.mod cp_subsys_types.mod input_section_types.mod qmmmx_types.mod force_env_types.mod atomic_kind_list_types.mod distribution_1d_types.mod input_restart_force_eval.mod base_hooks.mod qmmm_create.mod qmmmx_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_update.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_update.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod force_env_types.mod atomic_kind_list_types.mod qmmmx_types.mod distribution_1d_types.mod input_section_types.mod base_hooks.mod qmmm_create.mod qmmmx_util.mod input_restart_force_eval.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmmx_update.F qmmmx_update.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_band_structure.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:14 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_update.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_create.mod' due to: qmmmx_create.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_create.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_types.mod global_types.mod input_section_types.mod qmmmx_types.mod cp_subsys_types.mod cp_para_types.mod base_hooks.mod qmmm_create.mod qmmmx_util.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_update.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_gamma2kp.mod' due to: qs_gamma2kp.o /build/reproducible-path/cp2k-2023.1/src/qs_gamma2kp.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod kpoint_types.mod qs_environment_types.mod qs_scf_types.mod qs_rho_types.mod scf_control_types.mod pw_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod qs_environment.mod qs_scf_initialization.mod kinds.mod input_constants.mod qs_ks_methods.mod qs_energy_init.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_wannier90.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_wannier90.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_scf_diagonalization.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod cp_files.mod qs_moments.mod wannier90.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod kpoint_methods.mod machine.mod cp_blacs_env.mod qs_gamma2kp.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_wannier90.F qs_wannier90.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_band_structure.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_band_structure.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod scf_control_types.mod input_section_types.mod qs_scf_diagonalization.mod cp_files.mod string_utilities.mod cp_parser_methods.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod base_hooks.mod cp_para_env.mod kpoint_methods.mod machine.mod cp_blacs_env.mod qs_gamma2kp.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_band_structure.F qs_band_structure.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:41 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_band_structure.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_create.mod' due to: qmmmx_create.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_create.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod global_types.mod qmmmx_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod qmmm_create.mod qmmmx_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_update.mod' due to: qmmmx_update.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_update.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_types.mod cp_subsys_types.mod input_section_types.mod qmmmx_types.mod force_env_types.mod atomic_kind_list_types.mod distribution_1d_types.mod input_restart_force_eval.mod base_hooks.mod qmmm_create.mod qmmmx_util.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_update.mod' due to: qmmmx_update.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_update.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod force_env_types.mod atomic_kind_list_types.mod qmmmx_types.mod distribution_1d_types.mod input_section_types.mod base_hooks.mod qmmm_create.mod qmmmx_util.mod input_restart_force_eval.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_band_structure.mod' due to: qs_band_structure.o /build/reproducible-path/cp2k-2023.1/src/qs_band_structure.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod kpoint_types.mod cp_log_handling.mod physcon.mod qs_gamma2kp.mod cp_files.mod machine.mod string_utilities.mod cp_parser_methods.mod kinds.mod mathconstants.mod cp_blacs_env.mod kpoint_methods.mod cp_para_env.mod message_passing.mod qs_scf_diagonalization.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_band_structure.mod' due to: qs_band_structure.o /build/reproducible-path/cp2k-2023.1/src/qs_band_structure.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod scf_control_types.mod input_section_types.mod qs_scf_diagonalization.mod cp_files.mod string_utilities.mod cp_parser_methods.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod base_hooks.mod cp_para_env.mod kpoint_methods.mod machine.mod cp_blacs_env.mod qs_gamma2kp.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw_kpoints_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_cfm_types.mod hfx_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod cell_types.mod particle_types.mod kpoint_types.mod rpa_im_time.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod qs_band_structure.mod kinds.mod mathconstants.mod cp_cfm_diag.mod rpa_gw_im_time_util.mod cp_blacs_env.mod kpoint_methods.mod cp_fm_basic_linalg.mod cp_para_env.mod message_passing.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw_kpoints_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod hfx_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod qs_band_structure.mod cp_units.mod cp_cfm_basic_linalg.mod mathconstants.mod mathlib.mod message_passing.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod rpa_im_time.mod cp_fm_struct.mod cp_para_env.mod kpoint_methods.mod cp_blacs_env.mod rpa_gw_im_time_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F rpa_gw_kpoints_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw_kpoints_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_wannier90.mod' due to: qs_wannier90.o /build/reproducible-path/cp2k-2023.1/src/qs_wannier90.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod particle_types.mod kpoint_types.mod cp_log_handling.mod physcon.mod qs_gamma2kp.mod cp_files.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod wannier90.mod mathconstants.mod cp_blacs_env.mod qs_moments.mod kpoint_methods.mod cp_para_env.mod message_passing.mod parallel_gemm_api.mod qs_scf_diagonalization.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw_kpoints_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_wannier90.mod' due to: qs_wannier90.o /build/reproducible-path/cp2k-2023.1/src/qs_wannier90.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_scf_diagonalization.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod cp_files.mod qs_moments.mod wannier90.mod mathconstants.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod kpoint_methods.mod machine.mod cp_blacs_env.mod qs_gamma2kp.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_post_gpw.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod scf_control_types.mod qs_loc_types.mod pw_poisson_types.mod qs_environment_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod ps_implicit_types.mod virial_types.mod qs_mo_types.mod cp_para_types.mod qs_ks_types.mod preconditioner_types.mod pw_pool_types.mod qs_rho_atom_types.mod admm_types.mod pw_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod particle_list_types.mod qs_energy_types.mod qs_rho_types.mod cp_fm_types.mod et_coupling_types.mod qs_scf_types.mod qs_kind_types.mod hirshfeld_methods.mod hfx_ri.mod qs_integral_utils.mod qs_loc_utils.mod stm_images.mod voronoi_interface.mod admm_utils.mod dct.mod qs_rho_methods.mod transport.mod qs_scf_wfn_mix.mod qs_active_space_methods.mod qs_ks_methods.mod cp_fm_vect.mod qs_energy_window.mod mao_wfn_analysis.mod qs_epr_hyp.mod qs_chargemol.mod qs_scf_output.mod molden_utils.mod qs_loc_dipole.mod cp_dbcsr_operations.mod input_constants.mod cp_array_utils.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod qs_moments.mod xray_diffraction.mod cp_ddapc_util.mod qs_electric_field_gradient.mod cp_realspace_grid_cube.mod physcon.mod cp_output_handling.mod pw_methods.mod qs_resp.mod qs_elf_methods.mod kinds.mod population_analyses.mod s_square_methods.mod qs_loc_states.mod ai_onecenter.mod pw_grids.mod qs_pdos.mod qs_ot_eigensolver.mod memory_utilities.mod pw_poisson_methods.mod lapack.mod qs_dos.mod orbital_pointers.mod qs_mo_occupation.mod mulliken.mod qs_mo_io.mod base_hooks.mod qs_scf_csr_write.mod qs_commutators.mod cp_log_handling.mod qs_wannier90.mod cp_dbcsr_output.mod cp_fm_struct.mod qs_core_energies.mod minbas_wfn_analysis.mod cp_fm_diag.mod qs_local_properties.mod qs_mo_methods.mod qs_grid_atom.mod message_passing.mod atom_kind_orbitals.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_post_gpw.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_neighbor_list_types.mod hirshfeld_types.mod qs_rho_atom_types.mod ps_implicit_types.mod virial_types.mod pw_pool_types.mod particle_types.mod cp_fm_types.mod qs_energy_types.mod qs_mo_types.mod cell_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod qs_loc_types.mod pw_types.mod admm_types.mod qs_scf_types.mod kpoint_types.mod particle_list_types.mod qs_subsys_types.mod pw_env_types.mod molecule_types.mod qs_rho0_types.mod cp_control_types.mod qs_kind_types.mod et_coupling_types.mod preconditioner_types.mod cp_para_types.mod pw_poisson_types.mod qs_collocate_density.mod cp_array_utils.mod hfx_ri.mod minbas_wfn_analysis.mod qs_core_energies.mod transport.mod mathconstants.mod cp_fm_vect.mod dct.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_loc_states.mod qs_integral_utils.mod qs_pdos.mod qs_dos.mod cp_dbcsr_operations.mod lapack.mod qs_electric_field_gradient.mod pw_methods.mod qs_active_space_methods.mod stm_images.mod atom_kind_orbitals.mod voronoi_interface.mod molden_utils.mod message_passing.mod qs_scf_csr_write.mod qs_mo_methods.mod qs_mo_io.mod cp_fm_struct.mod cp_realspace_grid_cube.mod qs_loc_dipole.mod pw_poisson_methods.mod qs_rho_methods.mod cp_ddapc_util.mod qs_loc_utils.mod qs_moments.mod qs_chargemol.mod ai_onecenter.mod qs_ot_eigensolver.mod qs_commutators.mod population_analyses.mod cp_log_handling.mod xray_diffraction.mod qs_resp.mod kinds.mod pw_grids.mod orbital_pointers.mod cp_dbcsr_output.mod s_square_methods.mod qs_local_properties.mod qs_wannier90.mod qs_epr_hyp.mod mao_wfn_analysis.mod mulliken.mod memory_utilities.mod qs_energy_window.mod qs_elf_methods.mod qs_mo_occupation.mod qs_scf_output.mod qs_scf_wfn_mix.mod qs_grid_atom.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod qs_ks_methods.mod hirshfeld_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_gpw.F qs_scf_post_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:17 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_post_gpw.F90 -/build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F:1528:73: - - 1528 | integral = integral + weight*k_sq**(exp_kpoints*0.5_dp) - | ^ -Warning: 'exp_kpoints' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F:1437:71: - - 1437 | REAL(KIND=dp) :: exp_kpoints, integral, k_sq, weight - | ^ -note: 'exp_kpoints' was declared here /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_methods.F:2656:54: 2656 | ALLOCATE (pgrid(0:pdims(1) - 1, 0:pdims(2) - 1)) @@ -62878,25 +62903,36 @@ 2585 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & | ^ note: 'pdims[0]' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw_kpoints_util.mod' due to: rpa_gw_kpoints_util.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod cp_cfm_types.mod hfx_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod cell_types.mod particle_types.mod kpoint_types.mod rpa_im_time.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod qs_band_structure.mod kinds.mod mathconstants.mod cp_cfm_diag.mod rpa_gw_im_time_util.mod cp_blacs_env.mod kpoint_methods.mod cp_fm_basic_linalg.mod cp_para_env.mod message_passing.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_post_gpw.F90 +/build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F:1528:73: + + 1528 | integral = integral + weight*k_sq**(exp_kpoints*0.5_dp) + | ^ +Warning: 'exp_kpoints' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F:1437:71: + + 1437 | REAL(KIND=dp) :: exp_kpoints, integral, k_sq, weight + | ^ +note: 'exp_kpoints' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw_kpoints_util.mod' due to: rpa_gw_kpoints_util.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw_kpoints_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod hfx_types.mod qs_mo_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod scf_control_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod qs_band_structure.mod cp_units.mod cp_cfm_basic_linalg.mod mathconstants.mod mathlib.mod message_passing.mod cp_cfm_diag.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod rpa_im_time.mod cp_fm_struct.mod cp_para_env.mod kpoint_methods.mod cp_blacs_env.mod rpa_gw_im_time_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_2c.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod group_dist_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod cp_fm_cholesky.mod qs_integral_utils.mod mp2_eri.mod particle_methods.mod libint_2c_3c.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod rpa_gw_kpoints_util.mod input_constants.mod constants_operator.mod kinds.mod cp_eri_mme_interface.mod cp_fm_diag.mod rpa_communication.mod mp2_eri_gpw.mod cp_blacs_env.mod kpoint_methods.mod cp_fm_basic_linalg.mod cp_para_env.mod message_passing.mod parallel_gemm_api.mod kpoint_coulomb_2c.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod qs_interactions.mod qs_tensors.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F mp2_ri_2c.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod hfx_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod cp_fm_cholesky.mod qs_integral_utils.mod rpa_im_time.mod physcon.mod qs_gamma2kp.mod qs_neighbor_lists.mod cp_files.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_overlap.mod rpa_gw_kpoints_util.mod input_constants.mod qs_band_structure.mod kinds.mod dbt_api.mod cp_fm_diag.mod mathconstants.mod rpa_gw_im_time_util.mod qs_moments.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod rpa_gw_ic.mod qs_tensors.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_tensors_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod cp_files.mod qs_moments.mod qs_band_structure.mod mathconstants.mod qs_overlap.mod qs_tensors.mod dbt_api.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod physcon.mod qs_neighbor_lists.mod base_hooks.mod rpa_im_time.mod cp_fm_struct.mod rpa_gw_ic.mod machine.mod cp_fm_diag.mod rpa_gw_kpoints_util.mod qs_gamma2kp.mod qs_integral_utils.mod rpa_gw_im_time_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_gw.F rpa_gw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_2c.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod hfx_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod dgemm_counter_types.mod cell_types.mod kpoint_types.mod cp_fm_cholesky.mod cp_fm_struct.mod cp_dbcsr_operations.mod rpa_gw_kpoints_util.mod input_constants.mod kinds.mod dbt_api.mod mathconstants.mod cp_blacs_env.mod cp_fm_basic_linalg.mod cp_para_env.mod mp2_laplace.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_ri_2c.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod group_dist_types.mod cell_types.mod distribution_2d_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod cp_eri_mme_interface.mod cp_dbcsr_operations.mod cp_cfm_basic_linalg.mod mp2_eri_gpw.mod rpa_communication.mod qs_tensors.mod qs_interactions.mod message_passing.mod cp_fm_basic_linalg.mod libint_2c_3c.mod mp2_eri.mod kinds.mod input_constants.mod base_hooks.mod constants_operator.mod cp_fm_struct.mod particle_methods.mod cp_para_env.mod kpoint_methods.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod rpa_gw_kpoints_util.mod kpoint_coulomb_2c.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F mp2_ri_2c.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod dgemm_counter_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod mathconstants.mod dbt_api.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod mp2_laplace.mod cp_blacs_env.mod rpa_gw_kpoints_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_util.F rpa_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_util.mod' due to: rpa_util.o /build/reproducible-path/cp2k-2023.1/src/rpa_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod hfx_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod dgemm_counter_types.mod cell_types.mod kpoint_types.mod cp_fm_cholesky.mod cp_fm_struct.mod cp_dbcsr_operations.mod rpa_gw_kpoints_util.mod input_constants.mod kinds.mod dbt_api.mod mathconstants.mod cp_blacs_env.mod cp_fm_basic_linalg.mod cp_para_env.mod mp2_laplace.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_ri_2c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:48 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_util.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_util.mod' due to: rpa_util.o /build/reproducible-path/cp2k-2023.1/src/rpa_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod dgemm_counter_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod mathconstants.mod dbt_api.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod mp2_laplace.mod cp_blacs_env.mod rpa_gw_kpoints_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_grad.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_grad.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod qs_environment_types.mod dgemm_counter_types.mod mp2_types.mod group_dist_types.mod cp_fm_cholesky.mod machine.mod libint_2c_3c.mod cp_fm_struct.mod kinds.mod cp_array_utils.mod mathconstants.mod mp2_ri_grad_util.mod cp_blacs_env.mod util.mod cp_fm_basic_linalg.mod cp_para_env.mod mp2_laplace.mod message_passing.mod kahan_sum.mod rpa_util.mod parallel_gemm_api.mod local_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_grad.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_grad.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod dgemm_counter_types.mod mp2_types.mod cp_para_types.mod group_dist_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_array_utils.mod mp2_ri_grad_util.mod mathconstants.mod util.mod message_passing.mod cp_fm_basic_linalg.mod kahan_sum.mod libint_2c_3c.mod local_gemm_api.mod kinds.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod mp2_laplace.mod machine.mod cp_blacs_env.mod rpa_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_grad.F rpa_grad.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_axk.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_axk.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod hfx_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod mp2_types.mod input_section_types.mod qs_kind_types.mod cell_types.mod particle_types.mod hfx_ri.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod rpa_communication.mod util.mod cp_fm_basic_linalg.mod rpa_util.mod parallel_gemm_api.mod hfx_energy_potential.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_axk.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_axk.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod hfx_ri.mod rpa_communication.mod util.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod cp_fm_diag.mod rpa_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_axk.F rpa_axk.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_axk.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_axk.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_grad.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_grad.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_axk.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_axk.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_grad.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_grad.F90 /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F:327:52: 327 | DO i_size = 1, SIZE(fm_matrix_L_kpoints, 1) @@ -62909,45 +62945,45 @@ note: 'MEM[(struct array02_cp_fm_type &)&fm_matrix_l_kpoints].dim[0].ubound' was declared here /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F:198:79: Warning: 'MEM[(struct array02_cp_fm_type &)&fm_matrix_l_kpoints].offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F:198:79: Warning: 'MEM[(struct array02_cp_fm_type &)&fm_matrix_l_kpoints].dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_2c.mod' due to: mp2_ri_2c.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod group_dist_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod cp_fm_cholesky.mod qs_integral_utils.mod mp2_eri.mod particle_methods.mod libint_2c_3c.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod rpa_gw_kpoints_util.mod input_constants.mod constants_operator.mod kinds.mod cp_eri_mme_interface.mod cp_fm_diag.mod rpa_communication.mod mp2_eri_gpw.mod cp_blacs_env.mod kpoint_methods.mod cp_fm_basic_linalg.mod cp_para_env.mod message_passing.mod parallel_gemm_api.mod kpoint_coulomb_2c.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod qs_interactions.mod qs_tensors.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod mp2_types.mod input_section_types.mod pw_pool_types.mod group_dist_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod pw_types.mod bibliography.mod qs_integral_utils.mod mp2_eri.mod cp_log_handling.mod particle_methods.mod libint_2c_3c.mod machine.mod cp_fm_struct.mod mp2_ri_2c.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod kinds.mod dbt_api.mod cp_eri_mme_interface.mod mp2_eri_gpw.mod cp_blacs_env.mod kpoint_methods.mod util.mod message_passing.mod qs_tensors.mod qs_interactions.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_integrals.F mp2_integrals.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_axk.mod' due to: rpa_axk.o /build/reproducible-path/cp2k-2023.1/src/rpa_axk.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod hfx_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod mp2_types.mod input_section_types.mod qs_kind_types.mod cell_types.mod particle_types.mod hfx_ri.mod cp_fm_struct.mod cp_dbcsr_operations.mod kinds.mod cp_fm_diag.mod rpa_communication.mod util.mod cp_fm_basic_linalg.mod rpa_util.mod parallel_gemm_api.mod hfx_energy_potential.mod base_hooks.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:25 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_integrals.F90 /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_gpw.F:251:43: 251 | LOGICAL :: check_write, compute_lumos, do_homo, do_kpoints, do_mixed, do_mo_cubes, do_stm, & | ^ Warning: 'compute_lumos' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_post_gpw.mod' due to: qs_scf_post_gpw.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hirshfeld_types.mod scf_control_types.mod qs_loc_types.mod pw_poisson_types.mod qs_environment_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod ps_implicit_types.mod virial_types.mod qs_mo_types.mod cp_para_types.mod qs_ks_types.mod preconditioner_types.mod pw_pool_types.mod qs_rho_atom_types.mod admm_types.mod pw_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod qs_neighbor_list_types.mod qs_subsys_types.mod qs_rho0_types.mod input_section_types.mod particle_list_types.mod qs_energy_types.mod qs_rho_types.mod cp_fm_types.mod et_coupling_types.mod qs_scf_types.mod qs_kind_types.mod hirshfeld_methods.mod hfx_ri.mod qs_integral_utils.mod qs_loc_utils.mod stm_images.mod voronoi_interface.mod admm_utils.mod dct.mod qs_rho_methods.mod transport.mod qs_scf_wfn_mix.mod qs_active_space_methods.mod qs_ks_methods.mod cp_fm_vect.mod qs_energy_window.mod mao_wfn_analysis.mod qs_epr_hyp.mod qs_chargemol.mod qs_scf_output.mod molden_utils.mod qs_loc_dipole.mod cp_dbcsr_operations.mod input_constants.mod cp_array_utils.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod qs_moments.mod xray_diffraction.mod cp_ddapc_util.mod qs_electric_field_gradient.mod cp_realspace_grid_cube.mod physcon.mod cp_output_handling.mod pw_methods.mod qs_resp.mod qs_elf_methods.mod kinds.mod population_analyses.mod s_square_methods.mod qs_loc_states.mod ai_onecenter.mod pw_grids.mod qs_pdos.mod qs_ot_eigensolver.mod memory_utilities.mod pw_poisson_methods.mod lapack.mod qs_dos.mod orbital_pointers.mod qs_mo_occupation.mod mulliken.mod qs_mo_io.mod base_hooks.mod qs_scf_csr_write.mod qs_commutators.mod cp_log_handling.mod qs_wannier90.mod cp_dbcsr_output.mod cp_fm_struct.mod qs_core_energies.mod minbas_wfn_analysis.mod cp_fm_diag.mod qs_local_properties.mod qs_mo_methods.mod qs_grid_atom.mod message_passing.mod atom_kind_orbitals.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_ri_2c.mod' due to: mp2_ri_2c.o /build/reproducible-path/cp2k-2023.1/src/mp2_ri_2c.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod group_dist_types.mod cell_types.mod distribution_2d_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_cp2k_link.mod cp_eri_mme_interface.mod cp_dbcsr_operations.mod cp_cfm_basic_linalg.mod mp2_eri_gpw.mod rpa_communication.mod qs_tensors.mod qs_interactions.mod message_passing.mod cp_fm_basic_linalg.mod libint_2c_3c.mod mp2_eri.mod kinds.mod input_constants.mod base_hooks.mod constants_operator.mod cp_fm_struct.mod particle_methods.mod cp_para_env.mod kpoint_methods.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod rpa_gw_kpoints_util.mod kpoint_coulomb_2c.mod qs_integral_utils.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_integrals.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_integrals.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod hfx_types.mod task_list_types.mod input_section_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod group_dist_types.mod cell_types.mod qs_tensors_types.mod cp_fm_types.mod cp_eri_mme_interface.mod cp_dbcsr_operations.mod bibliography.mod cp_units.mod mp2_eri_gpw.mod qs_tensors.mod util.mod qs_interactions.mod dbt_api.mod message_passing.mod cp_log_handling.mod libint_2c_3c.mod mp2_eri.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod kpoint_methods.mod machine.mod cp_blacs_env.mod mp2_ri_2c.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_integrals.F mp2_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_axk.mod' due to: rpa_axk.o /build/reproducible-path/cp2k-2023.1/src/rpa_axk.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod hfx_ri.mod rpa_communication.mod util.mod cp_fm_basic_linalg.mod kinds.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod cp_fm_diag.mod rpa_util.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_integrals.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_post_gpw.mod' due to: qs_scf_post_gpw.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_gpw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_neighbor_list_types.mod hirshfeld_types.mod qs_rho_atom_types.mod ps_implicit_types.mod virial_types.mod pw_pool_types.mod particle_types.mod cp_fm_types.mod qs_energy_types.mod qs_mo_types.mod cell_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod qs_loc_types.mod pw_types.mod admm_types.mod qs_scf_types.mod kpoint_types.mod particle_list_types.mod qs_subsys_types.mod pw_env_types.mod molecule_types.mod qs_rho0_types.mod cp_control_types.mod qs_kind_types.mod et_coupling_types.mod preconditioner_types.mod cp_para_types.mod pw_poisson_types.mod qs_collocate_density.mod cp_array_utils.mod hfx_ri.mod minbas_wfn_analysis.mod qs_core_energies.mod transport.mod mathconstants.mod cp_fm_vect.mod dct.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_loc_states.mod qs_integral_utils.mod qs_pdos.mod qs_dos.mod cp_dbcsr_operations.mod lapack.mod qs_electric_field_gradient.mod pw_methods.mod qs_active_space_methods.mod stm_images.mod atom_kind_orbitals.mod voronoi_interface.mod molden_utils.mod message_passing.mod qs_scf_csr_write.mod qs_mo_methods.mod qs_mo_io.mod cp_fm_struct.mod cp_realspace_grid_cube.mod qs_loc_dipole.mod pw_poisson_methods.mod qs_rho_methods.mod cp_ddapc_util.mod qs_loc_utils.mod qs_moments.mod qs_chargemol.mod ai_onecenter.mod qs_ot_eigensolver.mod qs_commutators.mod population_analyses.mod cp_log_handling.mod xray_diffraction.mod qs_resp.mod kinds.mod pw_grids.mod orbital_pointers.mod cp_dbcsr_output.mod s_square_methods.mod qs_local_properties.mod qs_wannier90.mod qs_epr_hyp.mod mao_wfn_analysis.mod mulliken.mod memory_utilities.mod qs_energy_window.mod qs_elf_methods.mod qs_mo_occupation.mod qs_scf_output.mod qs_scf_wfn_mix.mod qs_grid_atom.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod qs_ks_methods.mod hirshfeld_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod transport_env_types.mod cp_control_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod qs_diis_types.mod qs_diis.mod bibliography.mod dm_ls_chebyshev.mod cp_log_handling.mod cp_external_control.mod machine.mod pao_main.mod mathlib.mod pexsi_methods.mod iterate_matrix.mod input_constants.mod dm_ls_scf_methods.mod kinds.mod transport.mod qs_scf_post_gpw.mod dm_ls_scf_qs.mod dm_ls_scf_curvy.mod qs_scf_post_tb.mod arnoldi_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dm_ls_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod qs_environment_types.mod ec_env_types.mod cp_control_types.mod dm_ls_scf_types.mod transport_env_types.mod qs_diis_types.mod input_section_types.mod dm_ls_chebyshev.mod qs_scf_post_tb.mod cp_external_control.mod bibliography.mod pao_main.mod arnoldi_api.mod transport.mod qs_scf_post_gpw.mod mathlib.mod dm_ls_scf_curvy.mod dm_ls_scf_methods.mod cp_log_handling.mod kinds.mod iterate_matrix.mod input_constants.mod dm_ls_scf_qs.mod base_hooks.mod machine.mod pexsi_methods.mod qs_diis.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf.F dm_ls_scf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_post_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod qs_environment_types.mod input_section_types.mod cp_control_types.mod lri_optimize_ri_basis.mod qs_scf_post_gpw.mod basis_set_output.mod qs_scf_post_tb.mod qs_band_structure.mod qs_scf_post_se.mod base_hooks.mod localization_tb.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf_post_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_scf_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod basis_set_output.mod qs_band_structure.mod qs_scf_post_se.mod qs_scf_post_tb.mod lri_optimize_ri_basis.mod qs_scf_post_gpw.mod localization_tb.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_tddfpt2_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_cholesky.mod cp_log_handling.mod physcon.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_array_utils.mod xtb_matrices.mod qs_scf_methods.mod qs_scf_post_gpw.mod cp_blacs_env.mod util.mod cp_fm_basic_linalg.mod qs_ks_methods.mod message_passing.mod parallel_gemm_api.mod xc_pot_saop.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_mo_types.mod qs_tddfpt2_types.mod qs_scf_types.mod cp_para_types.mod cell_types.mod input_section_types.mod parallel_gemm_api.mod xtb_matrices.mod cp_fm_cholesky.mod cp_array_utils.mod xc_pot_saop.mod cp_dbcsr_operations.mod qs_scf_methods.mod qs_scf_post_gpw.mod util.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_utils.F qs_tddfpt2_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod rt_propagation_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod qs_linres_current.mod kinds.mod qs_scf_post_gpw.mod cp_fm_basic_linalg.mod message_passing.mod kahan_sum.mod parallel_gemm_api.mod qs_scf_post_tb.mod rt_propagation_utils.mod qs_mo_io.mod base_hooks.mod cp_realspace_grid_cube.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_post_scf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_output.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_scf_types.mod pw_pool_types.mod particle_types.mod particle_list_types.mod qs_rho_types.mod rt_propagation_types.mod input_section_types.mod parallel_gemm_api.mod qs_scf_post_tb.mod cp_dbcsr_operations.mod qs_linres_current.mod qs_scf_post_gpw.mod pw_methods.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod qs_mo_io.mod rt_propagation_utils.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod machine.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_output.F rt_propagation_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dm_ls_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf_post_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:27 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_output.F90 /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_output.F:730:18: 730 | stride = section_get_ivals(dft_section, "REAL_TIME_PROPAGATION%PRINT%CURRENT%STRIDE") | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_post_scf.mod' due to: qs_scf_post_scf.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_scf_types.mod qs_environment_types.mod input_section_types.mod cp_control_types.mod lri_optimize_ri_basis.mod qs_scf_post_gpw.mod basis_set_output.mod qs_scf_post_tb.mod qs_band_structure.mod qs_scf_post_se.mod base_hooks.mod localization_tb.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf_post_scf.mod' due to: qs_scf_post_scf.o /build/reproducible-path/cp2k-2023.1/src/qs_scf_post_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_scf_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod basis_set_output.mod qs_band_structure.mod qs_scf_post_se.mod qs_scf_post_tb.mod lri_optimize_ri_basis.mod qs_scf_post_gpw.mod localization_tb.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod almo_scf_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod mscfg_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod particle_types.mod bibliography.mod domain_submatrix_methods.mod cp_log_handling.mod qs_scf_post_scf.mod mathlib.mod cp_dbcsr_operations.mod iterate_matrix.mod cp_dbcsr_diag.mod input_constants.mod kinds.mod almo_scf_optimizer.mod almo_scf_methods.mod cp_blacs_env.mod cp_para_env.mod qs_atomic_block.mod message_passing.mod almo_scf_qs.mod qs_initial_guess.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf.F almo_scf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_block_davidson_types.mod scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod pw_pool_types.mod qs_charges_types.mod qs_kind_types.mod qs_cdft_types.mod particle_types.mod kpoint_types.mod qs_density_mixing_types.mod qs_diis.mod cp_log_handling.mod qs_scf_output.mod qs_scf_loop_utils.mod cp_output_handling.mod qs_scf_post_scf.mod machine.mod cp_files.mod mathlib.mod cp_dbcsr_operations.mod qs_integrate_potential.mod preconditioner.mod qs_outer_scf.mod input_constants.mod qs_cdft_scf_utils.mod kinds.mod qs_rho_methods.mod cp_result_methods.mod kpoint_io.mod qs_mo_methods.mod qs_density_matrices.mod qs_ot.mod qs_scf_initialization.mod qs_ks_methods.mod message_passing.mod qs_ot_scf.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod qs_wf_history_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_block_davidson_types.mod cp_fm_types.mod ec_env_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod qs_mo_types.mod qs_charges_types.mod cp_result_types.mod qs_density_mixing_types.mod qs_scf_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_rho_methods.mod qs_scf_loop_utils.mod qs_cdft_scf_utils.mod cp_dbcsr_operations.mod cp_files.mod cp_result_methods.mod qs_wf_history_methods.mod mathlib.mod qs_ot.mod message_passing.mod qs_integrate_potential.mod qs_ot_scf.mod cp_log_handling.mod kpoint_io.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod preconditioner.mod qs_density_matrices.mod machine.mod qs_outer_scf.mod qs_scf_initialization.mod qs_ks_methods.mod qs_scf_post_scf.mod qs_diis.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_scf.F qs_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'almo_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/almo_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod mscfg_types.mod qs_scf_types.mod cp_para_types.mod almo_scf_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod bibliography.mod cp_dbcsr_operations.mod domain_submatrix_methods.mod almo_scf_methods.mod qs_atomic_block.mod almo_scf_optimizer.mod mathlib.mod message_passing.mod cp_log_handling.mod kinds.mod iterate_matrix.mod input_constants.mod qs_initial_guess.mod base_hooks.mod cp_para_env.mod almo_scf_qs.mod cp_dbcsr_diag.mod cp_blacs_env.mod qs_scf_post_scf.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/almo_scf.F almo_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:42:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' almo_scf.F90 /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf.F:637:63: 637 | extra_scf = maxscf_reached .OR. scf_converged @@ -62968,36 +63004,31 @@ 456 | LOGICAL :: check_convergence, diis_step, do_transport, extra_scf, maxscf_reached, & | ^ note: 'maxscf_reached' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_output.mod' due to: rt_propagation_output.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_environment_types.mod qs_subsys_types.mod qs_scf_types.mod input_section_types.mod qs_linres_types.mod pw_pool_types.mod qs_kind_types.mod particle_list_types.mod rt_propagation_types.mod particle_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod qs_linres_current.mod kinds.mod qs_scf_post_gpw.mod cp_fm_basic_linalg.mod message_passing.mod kahan_sum.mod parallel_gemm_api.mod qs_scf_post_tb.mod rt_propagation_utils.mod qs_mo_io.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_output.mod' due to: rt_propagation_output.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_output.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_linres_types.mod cp_control_types.mod qs_kind_types.mod pw_types.mod qs_scf_types.mod pw_pool_types.mod particle_types.mod particle_list_types.mod qs_rho_types.mod rt_propagation_types.mod input_section_types.mod parallel_gemm_api.mod qs_scf_post_tb.mod cp_dbcsr_operations.mod qs_linres_current.mod qs_scf_post_gpw.mod pw_methods.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod kinds.mod input_constants.mod qs_mo_io.mod rt_propagation_utils.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod cp_realspace_grid_cube.mod machine.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_energy_types.mod cp_control_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod rt_propagation_types.mod bibliography.mod cp_log_handling.mod rt_propagation_output.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod kinds.mod qs_energy_init.mod cp_fm_basic_linalg.mod rt_propagation_velocity_gauge.mod qs_ks_methods.mod cp_fm_vect.mod cp_dbcsr_cholesky.mod parallel_gemm_api.mod rt_propagation_utils.mod rt_make_propagators.mod cp_cfm_basic_linalg.mod base_hooks.mod ls_matrix_exp.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod rt_propagation_types.mod cp_fm_types.mod parallel_gemm_api.mod rt_propagation_output.mod cp_dbcsr_operations.mod bibliography.mod cp_cfm_basic_linalg.mod ls_matrix_exp.mod cp_dbcsr_cholesky.mod cp_fm_vect.mod mathlib.mod qs_energy_init.mod cp_fm_basic_linalg.mod cp_log_handling.mod rt_make_propagators.mod kinds.mod iterate_matrix.mod input_constants.mod rt_propagation_utils.mod rt_propagation_velocity_gauge.mod base_hooks.mod cp_fm_struct.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_methods.F rt_propagation_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_utils.mod' due to: qs_tddfpt2_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_tddfpt2_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod cell_types.mod cp_fm_cholesky.mod cp_log_handling.mod physcon.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_array_utils.mod xtb_matrices.mod qs_scf_methods.mod qs_scf_post_gpw.mod cp_blacs_env.mod util.mod cp_fm_basic_linalg.mod qs_ks_methods.mod message_passing.mod parallel_gemm_api.mod xc_pot_saop.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf.mod' due to: dm_ls_scf.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod qs_environment_types.mod ec_env_types.mod cp_control_types.mod dm_ls_scf_types.mod transport_env_types.mod qs_diis_types.mod input_section_types.mod dm_ls_chebyshev.mod qs_scf_post_tb.mod cp_external_control.mod bibliography.mod pao_main.mod arnoldi_api.mod transport.mod qs_scf_post_gpw.mod mathlib.mod dm_ls_scf_curvy.mod dm_ls_scf_methods.mod cp_log_handling.mod kinds.mod iterate_matrix.mod input_constants.mod dm_ls_scf_qs.mod base_hooks.mod machine.mod pexsi_methods.mod qs_diis.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'energy_corrections.o' due to: /build/reproducible-path/cp2k-2023.1/src/energy_corrections.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_neighbor_list_types.mod ec_env_types.mod virial_types.mod pw_pool_types.mod particle_types.mod cp_fm_types.mod qs_force_types.mod distribution_1d_types.mod qs_energy_types.mod qs_mo_types.mod external_potential_types.mod dm_ls_scf_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod pw_types.mod task_list_types.mod cp_result_types.mod pw_grid_types.mod pw_env_types.mod molecule_types.mod qs_dispersion_types.mod cp_control_types.mod qs_kind_types.mod preconditioner_types.mod cp_para_types.mod pw_poisson_types.mod qs_collocate_density.mod task_list_methods.mod qs_core_energies.mod qs_integrate_potential.mod input_constants.mod physcon.mod dm_ls_scf_qs.mod cp_output_handling.mod base_hooks.mod core_ppl.mod cp_fm_cholesky.mod ec_efield_local.mod cp_dbcsr_operations.mod admm_methods.mod response_solver.mod pw_methods.mod voronoi_interface.mod message_passing.mod cp_fm_basic_linalg.mod qs_mo_methods.mod qs_neighbor_lists.mod preconditioner.mod periodic_table.mod cp_fm_struct.mod qs_density_matrices.mod pw_poisson_methods.mod core_ppnl.mod qs_vxc.mod cp_result_methods.mod qs_moments.mod string_utilities.mod qs_ot_eigensolver.mod qs_atomic_block.mod cp_log_handling.mod kinds.mod qs_dispersion_pairpot.mod cp_dbcsr_cp2k_link.mod virial_methods.mod moments_utils.mod qs_overlap.mod dm_ls_scf.mod mathlib.mod ec_methods.mod dm_ls_scf_methods.mod qs_linres_kernel.mod qs_ks_reference.mod cp_blacs_env.mod cp_fm_diag.mod mao_basis.mod qs_ks_methods.mod qs_kinetic.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/energy_corrections.F energy_corrections.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' energy_corrections.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_utils.mod' due to: qs_tddfpt2_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_mo_types.mod qs_tddfpt2_types.mod qs_scf_types.mod cp_para_types.mod cell_types.mod input_section_types.mod parallel_gemm_api.mod xtb_matrices.mod cp_fm_cholesky.mod cp_array_utils.mod xc_pot_saop.mod cp_dbcsr_operations.mod qs_scf_methods.mod qs_scf_post_gpw.mod util.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod cp_fm_struct.mod cp_blacs_env.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_eigensolver.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_tddfpt2_types.mod qs_environment_types.mod input_section_types.mod qs_kernel_types.mod cp_fm_pool_types.mod cp_log_handling.mod qs_tddfpt2_restart.mod physcon.mod cp_output_handling.mod machine.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_fm_diag.mod qs_scf_methods.mod cp_blacs_env.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_tddfpt2_operators.mod qs_tddfpt2_fhxc.mod parallel_gemm_api.mod base_hooks.mod qs_tddfpt2_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_eigensolver.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod cp_para_types.mod input_section_types.mod parallel_gemm_api.mod qs_tddfpt2_operators.mod cp_dbcsr_operations.mod memory_utilities.mod qs_tddfpt2_utils.mod qs_scf_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_tddfpt2_subgroups.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod qs_tddfpt2_fhxc.mod qs_tddfpt2_restart.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_eigensolver.F qs_tddfpt2_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_eigensolver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_eigensolver.F90 /build/reproducible-path/cp2k-2023.1/src/mp2_integrals.F:282:89: 282 | DIMENSION(:) :: intermed_mat, intermed_mat_gw | ^ Warning: 'intermed_mat_gw.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dm_ls_scf.mod' due to: dm_ls_scf.o /build/reproducible-path/cp2k-2023.1/src/dm_ls_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod transport_env_types.mod cp_control_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod dm_ls_scf_types.mod input_section_types.mod qs_diis_types.mod qs_diis.mod bibliography.mod dm_ls_chebyshev.mod cp_log_handling.mod cp_external_control.mod machine.mod pao_main.mod mathlib.mod pexsi_methods.mod iterate_matrix.mod input_constants.mod dm_ls_scf_methods.mod kinds.mod transport.mod qs_scf_post_gpw.mod dm_ls_scf_qs.mod dm_ls_scf_curvy.mod qs_scf_post_tb.mod arnoldi_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_methods.mod' due to: rt_propagation_methods.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod rt_propagation_types.mod cp_fm_types.mod parallel_gemm_api.mod rt_propagation_output.mod cp_dbcsr_operations.mod bibliography.mod cp_cfm_basic_linalg.mod ls_matrix_exp.mod cp_dbcsr_cholesky.mod cp_fm_vect.mod mathlib.mod qs_energy_init.mod cp_fm_basic_linalg.mod cp_log_handling.mod rt_make_propagators.mod kinds.mod iterate_matrix.mod input_constants.mod rt_propagation_utils.mod rt_propagation_velocity_gauge.mod base_hooks.mod cp_fm_struct.mod qs_ks_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'energy_corrections.o' due to: /build/reproducible-path/cp2k-2023.1/src/energy_corrections.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_dispersion_types.mod pw_poisson_types.mod qs_environment_types.mod pw_grid_types.mod distribution_1d_types.mod basis_set_types.mod cell_types.mod particle_types.mod virial_types.mod qs_mo_types.mod cp_para_types.mod qs_force_types.mod qs_ks_types.mod preconditioner_types.mod pw_pool_types.mod external_potential_types.mod distribution_2d_types.mod pw_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod qs_neighbor_list_types.mod task_list_types.mod dm_ls_scf_types.mod input_section_types.mod qs_energy_types.mod qs_rho_types.mod cp_result_types.mod cp_fm_types.mod qs_kind_types.mod qs_integrate_potential.mod voronoi_interface.mod qs_density_matrices.mod qs_dispersion_pairpot.mod qs_ks_methods.mod virial_methods.mod qs_kinetic.mod cp_fm_cholesky.mod core_ppl.mod string_utilities.mod cp_dbcsr_operations.mod preconditioner.mod periodic_table.mod input_constants.mod cp_blacs_env.mod qs_collocate_density.mod qs_moments.mod cp_fm_basic_linalg.mod dm_ls_scf_qs.mod physcon.mod cp_output_handling.mod pw_methods.mod mathlib.mod qs_overlap.mod kinds.mod response_solver.mod ec_efield_local.mod task_list_methods.mod qs_ot_eigensolver.mod pw_poisson_methods.mod qs_atomic_block.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_linres_kernel.mod cp_log_handling.mod dm_ls_scf.mod admm_methods.mod qs_neighbor_lists.mod ec_methods.mod cp_fm_struct.mod qs_core_energies.mod dm_ls_scf_methods.mod cp_result_methods.mod cp_fm_diag.mod qs_mo_methods.mod qs_ks_reference.mod message_passing.mod mao_basis.mod moments_utils.mod core_ppnl.mod qs_vxc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/energy_corrections.F energy_corrections.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' energy_corrections.F90 -/build/reproducible-path/cp2k-2023.1/src/rpa_grad.F:1187:27: - - 1187 | procs_recv(:) = -1 - | ^ -Warning: 'procs_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/rpa_grad.F:1027:70: - - 1027 | INTEGER, ALLOCATABLE, DIMENSION(:) :: procs_recv - | ^ -note: 'procs_recv.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagator_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_control_types.mod qs_mo_types.mod rt_propagation_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod arnoldi_api.mod cp_fm_basic_linalg.mod cp_log_handling.mod matrix_exp.mod rt_make_propagators.mod kinds.mod iterate_matrix.mod input_constants.mod base_hooks.mod rt_propagation_methods.mod cp_fm_diag.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagator_init.F rt_propagator_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagator_init.F90 /build/reproducible-path/cp2k-2023.1/src/qs_scf.F:1635:34: 1635 | alpha = alpha_ls @@ -63008,15 +63039,25 @@ 1430 | REAL(KIND=dp) :: alpha, alpha_ls, factor, norm_ls | ^ note: 'alpha_ls' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation_methods.mod' due to: rt_propagation_methods.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagation_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_energy_types.mod cp_control_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod rt_propagation_types.mod bibliography.mod cp_log_handling.mod rt_propagation_output.mod cp_fm_struct.mod mathlib.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod kinds.mod qs_energy_init.mod cp_fm_basic_linalg.mod rt_propagation_velocity_gauge.mod qs_ks_methods.mod cp_fm_vect.mod cp_dbcsr_cholesky.mod parallel_gemm_api.mod rt_propagation_utils.mod rt_make_propagators.mod cp_cfm_basic_linalg.mod base_hooks.mod ls_matrix_exp.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagator_init.o' due to: /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod rt_propagation_types.mod cp_log_handling.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod kinds.mod rt_propagation_methods.mod cp_fm_diag.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod arnoldi_api.mod rt_make_propagators.mod matrix_exp.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagator_init.F rt_propagator_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/emd/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagator_init.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_integrals.mod' due to: mp2_integrals.o /build/reproducible-path/cp2k-2023.1/src/mp2_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod pw_poisson_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod task_list_types.mod mp2_types.mod input_section_types.mod pw_pool_types.mod group_dist_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod pw_types.mod bibliography.mod qs_integral_utils.mod mp2_eri.mod cp_log_handling.mod particle_methods.mod libint_2c_3c.mod machine.mod cp_fm_struct.mod mp2_ri_2c.mod cp_dbcsr_operations.mod cp_units.mod input_constants.mod kinds.mod dbt_api.mod cp_eri_mme_interface.mod mp2_eri_gpw.mod cp_blacs_env.mod kpoint_methods.mod util.mod message_passing.mod qs_tensors.mod qs_interactions.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/rpa_grad.F:1187:27: + + 1187 | procs_recv(:) = -1 + | ^ +Warning: 'procs_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/rpa_grad.F:1027:70: + + 1027 | INTEGER, ALLOCATABLE, DIMENSION(:) :: procs_recv + | ^ +note: 'procs_recv.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_eigensolver.mod' due to: qs_tddfpt2_eigensolver.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod cp_para_types.mod input_section_types.mod parallel_gemm_api.mod qs_tddfpt2_operators.mod cp_dbcsr_operations.mod memory_utilities.mod qs_tddfpt2_utils.mod qs_scf_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod qs_tddfpt2_subgroups.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod qs_tddfpt2_fhxc.mod qs_tddfpt2_restart.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_eigensolver.mod' due to: qs_tddfpt2_eigensolver.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_eigensolver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_tddfpt2_types.mod qs_environment_types.mod input_section_types.mod qs_kernel_types.mod cp_fm_pool_types.mod cp_log_handling.mod qs_tddfpt2_restart.mod physcon.mod cp_output_handling.mod machine.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod cp_fm_diag.mod qs_scf_methods.mod cp_blacs_env.mod memory_utilities.mod cp_fm_basic_linalg.mod qs_tddfpt2_operators.mod qs_tddfpt2_fhxc.mod parallel_gemm_api.mod base_hooks.mod qs_tddfpt2_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagator_init.mod' due to: rt_propagator_init.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_control_types.mod qs_mo_types.mod rt_propagation_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_dbcsr_operations.mod arnoldi_api.mod cp_fm_basic_linalg.mod cp_log_handling.mod matrix_exp.mod rt_make_propagators.mod kinds.mod iterate_matrix.mod input_constants.mod base_hooks.mod rt_propagation_methods.mod cp_fm_diag.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a' due to: rt_propagator_init.o rt_propagation_utils.o rt_propagation_output.o rt_propagation_methods.o rt_make_propagators.o rt_hfx_utils.o rt_delta_pulse.o +echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a" +Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a +ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a rt_propagator_init.o rt_propagation_utils.o rt_propagation_output.o rt_propagation_methods.o rt_make_propagators.o rt_hfx_utils.o rt_delta_pulse.o +ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-2023.1/src/rpa_gw.F:2844:63: 2844 | /REAL(degeneracy, KIND=dp) @@ -63027,13 +63068,6 @@ 2792 | INTEGER :: degeneracy, first_degenerate_level, i_deg_level, i_level_gw, j_deg_level, jquad, & | ^ note: 'first_degenerate_level' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagator_init.mod' due to: rt_propagator_init.o /build/reproducible-path/cp2k-2023.1/src/emd/rt_propagator_init.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod rt_propagation_types.mod cp_log_handling.mod cp_dbcsr_operations.mod iterate_matrix.mod input_constants.mod kinds.mod rt_propagation_methods.mod cp_fm_diag.mod cp_fm_basic_linalg.mod parallel_gemm_api.mod arnoldi_api.mod rt_make_propagators.mod matrix_exp.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a' due to: rt_propagator_init.o rt_propagation_utils.o rt_propagation_output.o rt_propagation_methods.o rt_make_propagators.o rt_hfx_utils.o rt_delta_pulse.o -echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a" -Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a -ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a rt_propagator_init.o rt_propagation_utils.o rt_propagation_output.o rt_propagation_methods.o rt_make_propagators.o rt_hfx_utils.o rt_delta_pulse.o -ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-2023.1/src/qs_scf.F:296:59: 296 | scf_control%outer_scf%have_scf = outer_scf_loop @@ -63054,48 +63088,50 @@ 205 | INTEGER :: ihistory, max_scf_tmp, tsteps | ^ note: 'max_scf_tmp' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf.mod' due to: qs_scf.o /build/reproducible-path/cp2k-2023.1/src/qs_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_block_davidson_types.mod scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod pw_pool_types.mod qs_charges_types.mod qs_kind_types.mod qs_cdft_types.mod particle_types.mod kpoint_types.mod qs_density_mixing_types.mod qs_diis.mod cp_log_handling.mod qs_scf_output.mod qs_scf_loop_utils.mod cp_output_handling.mod qs_scf_post_scf.mod machine.mod cp_files.mod mathlib.mod cp_dbcsr_operations.mod qs_integrate_potential.mod preconditioner.mod qs_outer_scf.mod input_constants.mod qs_cdft_scf_utils.mod kinds.mod qs_rho_methods.mod cp_result_methods.mod kpoint_io.mod qs_mo_methods.mod qs_density_matrices.mod qs_ot.mod qs_scf_initialization.mod qs_ks_methods.mod message_passing.mod qs_ot_scf.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod qs_wf_history_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_scf.mod' due to: qs_scf.o /build/reproducible-path/cp2k-2023.1/src/qs_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_block_davidson_types.mod cp_fm_types.mod ec_env_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod qs_mo_types.mod qs_charges_types.mod cp_result_types.mod qs_density_mixing_types.mod qs_scf_types.mod qs_cdft_types.mod cp_para_types.mod pw_pool_types.mod kpoint_types.mod particle_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_rho_methods.mod qs_scf_loop_utils.mod qs_cdft_scf_utils.mod cp_dbcsr_operations.mod cp_files.mod cp_result_methods.mod qs_wf_history_methods.mod mathlib.mod qs_ot.mod message_passing.mod qs_integrate_potential.mod qs_ot_scf.mod cp_log_handling.mod kpoint_io.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod preconditioner.mod qs_density_matrices.mod machine.mod qs_outer_scf.mod qs_scf_initialization.mod qs_ks_methods.mod qs_scf_post_scf.mod qs_diis.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tp_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod preconditioner_types.mod qs_environment_types.mod qs_scf_types.mod xas_env_types.mod input_section_types.mod qs_charges_types.mod qs_kind_types.mod cell_types.mod particle_types.mod qs_density_mixing_types.mod qs_gspace_mixing.mod cp_log_handling.mod qs_scf_output.mod cp_output_handling.mod cp_external_control.mod particle_methods.mod machine.mod qs_mixing_utils.mod preconditioner.mod input_constants.mod kinds.mod xas_control.mod qs_rho_methods.mod qs_scf.mod cp_array_utils.mod qs_mo_methods.mod qs_scf_methods.mod cp_blacs_env.mod qs_ot_eigensolver.mod qs_density_matrices.mod qs_scf_initialization.mod qs_ks_methods.mod xas_restart.mod message_passing.mod qs_loc_methods.mod qs_scf_diagonalization.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tp_scf.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_energy_types.mod qs_loc_types.mod qs_kind_types.mod qs_mo_types.mod qs_charges_types.mod xas_env_types.mod qs_density_mixing_types.mod preconditioner_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_scf_diagonalization.mod qs_rho_methods.mod cp_array_utils.mod qs_scf.mod qs_loc_methods.mod cp_external_control.mod qs_scf_methods.mod xas_restart.mod qs_ot_eigensolver.mod message_passing.mod xas_control.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod preconditioner.mod particle_methods.mod qs_density_matrices.mod machine.mod cp_blacs_env.mod qs_mixing_utils.mod qs_scf_initialization.mod qs_ks_methods.mod qs_gspace_mixing.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tp_scf.F xas_tp_scf.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tip_scan_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/tip_scan_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod tip_scan_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_files.mod kinds.mod qs_scf.mod pw_grids.mod message_passing.mod base_hooks.mod cp_realspace_grid_cube.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tip_scan_methods.F tip_scan_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_fprint.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fprint.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod exstates_types.mod qs_force_types.mod atomic_kind_types.mod qs_p_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_tddfpt2_types.mod lri_environment_types.mod qs_environment_types.mod input_section_types.mod qs_kernel_types.mod qs_tddfpt2_forces.mod cp_log_handling.mod physcon.mod cp_output_handling.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_core_energies.mod kinds.mod qs_external_potential.mod response_solver.mod qs_scf.mod xtb_matrices.mod qs_core_hamiltonian.mod ri_environment_methods.mod qs_energy_init.mod qs_ks_methods.mod qs_matrix_w.mod base_hooks.mod qs_environment_methods.mod efield_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_fprint.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fprint.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod exstates_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod lri_environment_types.mod cp_para_types.mod qs_p_env_types.mod input_section_types.mod ri_environment_methods.mod xtb_matrices.mod qs_scf.mod efield_utils.mod cp_dbcsr_operations.mod response_solver.mod qs_core_energies.mod qs_core_hamiltonian.mod qs_energy_init.mod cp_log_handling.mod qs_matrix_w.mod kinds.mod qs_tddfpt2_subgroups.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_environment_methods.mod cp_fm_struct.mod qs_external_potential.mod qs_ks_methods.mod qs_tddfpt2_forces.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fprint.F qs_tddfpt2_fprint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tp_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tip_scan_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fprint.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fprint.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_grad.mod' due to: rpa_grad.o /build/reproducible-path/cp2k-2023.1/src/rpa_grad.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod qs_environment_types.mod dgemm_counter_types.mod mp2_types.mod group_dist_types.mod cp_fm_cholesky.mod machine.mod libint_2c_3c.mod cp_fm_struct.mod kinds.mod cp_array_utils.mod mathconstants.mod mp2_ri_grad_util.mod cp_blacs_env.mod util.mod cp_fm_basic_linalg.mod cp_para_env.mod mp2_laplace.mod message_passing.mod kahan_sum.mod rpa_util.mod parallel_gemm_api.mod local_gemm_api.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tip_scan_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/tip_scan_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_control_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod tip_scan_types.mod pw_pool_types.mod pw_grid_types.mod input_section_types.mod qs_scf.mod cp_files.mod pw_methods.mod message_passing.mod cp_log_handling.mod kinds.mod pw_grids.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tip_scan_methods.F tip_scan_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tp_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fprint.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fprint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tip_scan_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_integrals.mod' due to: mp2_integrals.o /build/reproducible-path/cp2k-2023.1/src/mp2_integrals.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_control_types.mod basis_set_types.mod qs_kind_types.mod pw_types.mod hfx_types.mod task_list_types.mod input_section_types.mod cp_para_types.mod pw_pool_types.mod pw_poisson_types.mod kpoint_types.mod particle_types.mod group_dist_types.mod cell_types.mod qs_tensors_types.mod cp_fm_types.mod cp_eri_mme_interface.mod cp_dbcsr_operations.mod bibliography.mod cp_units.mod mp2_eri_gpw.mod qs_tensors.mod util.mod qs_interactions.mod dbt_api.mod message_passing.mod cp_log_handling.mod libint_2c_3c.mod mp2_eri.mod kinds.mod input_constants.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod kpoint_methods.mod machine.mod cp_blacs_env.mod mp2_ri_2c.mod qs_integral_utils.mod true /build/reproducible-path/cp2k-2023.1/src/tip_scan_methods.F:107:83: 107 | logger%iter_info%project_name = logger%iter_info%project_name//"+TIP_SCAN" | 1 Warning: CHARACTER expression will be truncated in assignment (80/89) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tip_scan_methods.mod' due to: tip_scan_methods.o /build/reproducible-path/cp2k-2023.1/src/tip_scan_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod cp_control_types.mod cp_para_types.mod tip_scan_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod input_section_types.mod pw_pool_types.mod pw_grid_types.mod pw_types.mod cp_log_handling.mod cp_output_handling.mod pw_methods.mod cp_files.mod kinds.mod qs_scf.mod pw_grids.mod message_passing.mod base_hooks.mod cp_realspace_grid_cube.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_grad.mod' due to: rpa_grad.o /build/reproducible-path/cp2k-2023.1/src/rpa_grad.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod dgemm_counter_types.mod mp2_types.mod cp_para_types.mod group_dist_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_array_utils.mod mp2_ri_grad_util.mod mathconstants.mod util.mod message_passing.mod cp_fm_basic_linalg.mod kahan_sum.mod libint_2c_3c.mod local_gemm_api.mod kinds.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod mp2_laplace.mod machine.mod cp_blacs_env.mod rpa_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tip_scan_methods.mod' due to: tip_scan_methods.o /build/reproducible-path/cp2k-2023.1/src/tip_scan_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_control_types.mod pw_types.mod qs_mo_types.mod cp_para_types.mod tip_scan_types.mod pw_pool_types.mod pw_grid_types.mod input_section_types.mod qs_scf.mod cp_files.mod pw_methods.mod message_passing.mod cp_log_handling.mod kinds.mod pw_grids.mod cp_output_handling.mod base_hooks.mod cp_realspace_grid_cube.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw.mod' due to: rpa_gw.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod hfx_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_tensors_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod cp_fm_cholesky.mod qs_integral_utils.mod rpa_im_time.mod physcon.mod qs_gamma2kp.mod qs_neighbor_lists.mod cp_files.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_overlap.mod rpa_gw_kpoints_util.mod input_constants.mod qs_band_structure.mod kinds.mod dbt_api.mod cp_fm_diag.mod mathconstants.mod rpa_gw_im_time_util.mod qs_moments.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod rpa_gw_ic.mod qs_tensors.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_im_time_force_methods.mod' due to: rpa_im_time_force_methods.o /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_neighbor_list_types.mod virial_types.mod pw_pool_types.mod particle_types.mod cp_fm_types.mod qs_force_types.mod mp2_types.mod qs_mo_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod task_list_types.mod pw_types.mod hfx_types.mod admm_types.mod qs_p_env_types.mod pw_env_types.mod qs_linres_types.mod realspace_grid_types.mod cp_control_types.mod qs_kind_types.mod rpa_im_time_force_types.mod cp_para_types.mod pw_poisson_types.mod qs_tensors_types.mod qs_collocate_density.mod hfx_ri.mod mathconstants.mod qs_interactions.mod dbt_api.mod qs_integrate_potential.mod input_constants.mod base_hooks.mod particle_methods.mod qs_integral_utils.mod core_ppl.mod cp_dbcsr_operations.mod admm_methods.mod response_solver.mod pw_methods.mod message_passing.mod mp2_eri.mod cp_fm_struct.mod qs_density_matrices.mod pw_poisson_methods.mod core_ppnl.mod mp2_eri_gpw.mod cp_dbcsr_cholesky.mod gaussian_gridlevels.mod kinds.mod iterate_matrix.mod orbital_pointers.mod rpa_im_time.mod cp_dbcsr_diag.mod rpa_hfx.mod hfx_admm_utils.mod ao_util.mod qs_p_env_methods.mod parallel_gemm_api.mod cp_eri_mme_interface.mod qs_energy_matrix_w.mod rs_pw_interface.mod qs_overlap.mod qs_tensors.mod ec_methods.mod hfx_derivatives.mod libint_2c_3c.mod qs_ks_reference.mod cp_para_env.mod machine.mod cp_blacs_env.mod qs_ks_methods.mod qs_kinetic.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw_sigma_x.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw_sigma_x.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod input_section_types.mod admm_types.mod kpoint_types.mod hfx_ri.mod admm_methods.mod physcon.mod cp_files.mod machine.mod cp_fm_struct.mod mp2_ri_2c.mod rpa_gw.mod cp_dbcsr_operations.mod mp2_integrals.mod rpa_gw_kpoints_util.mod rpa_hfx.mod input_constants.mod kinds.mod mathconstants.mod kpoint_methods.mod qs_ks_methods.mod message_passing.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod hfx_energy_potential.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw.mod' due to: rpa_gw.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod basis_set_types.mod qs_kind_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod cell_types.mod qs_tensors_types.mod cp_fm_types.mod parallel_gemm_api.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod cp_files.mod qs_moments.mod qs_band_structure.mod mathconstants.mod qs_overlap.mod qs_tensors.mod dbt_api.mod message_passing.mod cp_fm_basic_linalg.mod kinds.mod input_constants.mod physcon.mod qs_neighbor_lists.mod base_hooks.mod rpa_im_time.mod cp_fm_struct.mod rpa_gw_ic.mod machine.mod cp_fm_diag.mod rpa_gw_kpoints_util.mod qs_gamma2kp.mod qs_integral_utils.mod rpa_gw_im_time_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_gw_sigma_x.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_gw_sigma_x.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod kpoint_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod rpa_gw.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod cp_files.mod hfx_ri.mod admm_methods.mod cp_cfm_basic_linalg.mod mathconstants.mod message_passing.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod hfx_energy_potential.mod mp2_integrals.mod cp_fm_struct.mod kpoint_methods.mod machine.mod rpa_hfx.mod mp2_ri_2c.mod qs_ks_methods.mod rpa_gw_kpoints_util.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_gw_sigma_x.F rpa_gw_sigma_x.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_sigma_x.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw_sigma_x.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_fprint.mod' due to: qs_tddfpt2_fprint.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fprint.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_control_types.mod cp_para_types.mod exstates_types.mod qs_force_types.mod atomic_kind_types.mod qs_p_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_tddfpt2_types.mod lri_environment_types.mod qs_environment_types.mod input_section_types.mod qs_kernel_types.mod qs_tddfpt2_forces.mod cp_log_handling.mod physcon.mod cp_output_handling.mod qs_tddfpt2_subgroups.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_core_energies.mod kinds.mod qs_external_potential.mod response_solver.mod qs_scf.mod xtb_matrices.mod qs_core_hamiltonian.mod ri_environment_methods.mod qs_energy_init.mod qs_ks_methods.mod qs_matrix_w.mod base_hooks.mod qs_environment_methods.mod efield_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod dgemm_counter_types.mod mp2_types.mod hfx_types.mod rpa_im_time_force_types.mod cp_para_types.mod kpoint_types.mod group_dist_types.mod cp_fm_types.mod rpa_gw.mod minimax_exp.mod mp2_ri_grad_util.mod bibliography.mod mathconstants.mod util.mod dbt_api.mod message_passing.mod rpa_grad.mod cp_fm_basic_linalg.mod mp2_grids.mod rpa_im_time_force_methods.mod kinds.mod input_constants.mod base_hooks.mod rpa_im_time.mod rpa_axk.mod bse.mod cp_fm_struct.mod cp_para_env.mod mp2_laplace.mod rpa_gw_ic.mod machine.mod cp_blacs_env.mod rpa_gw_kpoints_util.mod rpa_util.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_main.F rpa_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_sigma_x.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_gw_sigma_x.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_main.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_fprint.mod' due to: qs_tddfpt2_fprint.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_fprint.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod qs_force_types.mod cp_control_types.mod exstates_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod lri_environment_types.mod cp_para_types.mod qs_p_env_types.mod input_section_types.mod ri_environment_methods.mod xtb_matrices.mod qs_scf.mod efield_utils.mod cp_dbcsr_operations.mod response_solver.mod qs_core_energies.mod qs_core_hamiltonian.mod qs_energy_init.mod cp_log_handling.mod qs_matrix_w.mod kinds.mod qs_tddfpt2_subgroups.mod physcon.mod cp_output_handling.mod base_hooks.mod qs_environment_methods.mod cp_fm_struct.mod qs_external_potential.mod qs_ks_methods.mod qs_tddfpt2_forces.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod exstates_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod qs_tddfpt2_types.mod lri_environment_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_kernel_types.mod cell_types.mod admm_types.mod cp_fm_pool_types.mod qs_tddfpt2_fprint.mod bibliography.mod qs_tddfpt2_forces.mod xc_write_output.mod cp_log_handling.mod qs_tddfpt2_lri_utils.mod physcon.mod qs_tddfpt2_restart.mod cp_output_handling.mod machine.mod qs_tddfpt2_eigensolver.mod cp_fm_struct.mod qs_tddfpt2_subgroups.mod string_utilities.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod lri_environment_methods.mod header.mod qs_scf_methods.mod qs_2nd_kernel_ao.mod cp_blacs_env.mod qs_tddfpt2_densities.mod qs_tddfpt2_properties.mod mulliken.mod qs_tddfpt2_stda_utils.mod base_hooks.mod qs_tddfpt2_utils.mod qs_kernel_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_tddfpt2_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod exstates_types.mod hfx_types.mod qs_mo_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod lri_environment_types.mod admm_types.mod qs_scf_types.mod cp_para_types.mod cell_types.mod input_section_types.mod mulliken.mod qs_tddfpt2_fprint.mod cp_dbcsr_operations.mod bibliography.mod lri_environment_methods.mod xc_write_output.mod qs_kernel_methods.mod qs_tddfpt2_utils.mod qs_tddfpt2_densities.mod qs_scf_methods.mod string_utilities.mod qs_tddfpt2_lri_utils.mod qs_tddfpt2_eigensolver.mod qs_tddfpt2_properties.mod qs_2nd_kernel_ao.mod cp_log_handling.mod kinds.mod qs_tddfpt2_subgroups.mod input_constants.mod physcon.mod qs_tddfpt2_stda_utils.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod qs_tddfpt2_restart.mod qs_tddfpt2_forces.mod header.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_methods.F qs_tddfpt2_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tp_scf.mod' due to: xas_tp_scf.o /build/reproducible-path/cp2k-2023.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod qs_rho_types.mod qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_ks_types.mod preconditioner_types.mod qs_environment_types.mod qs_scf_types.mod xas_env_types.mod input_section_types.mod qs_charges_types.mod qs_kind_types.mod cell_types.mod particle_types.mod qs_density_mixing_types.mod qs_gspace_mixing.mod cp_log_handling.mod qs_scf_output.mod cp_output_handling.mod cp_external_control.mod particle_methods.mod machine.mod qs_mixing_utils.mod preconditioner.mod input_constants.mod kinds.mod xas_control.mod qs_rho_methods.mod qs_scf.mod cp_array_utils.mod qs_mo_methods.mod qs_scf_methods.mod cp_blacs_env.mod qs_ot_eigensolver.mod qs_density_matrices.mod qs_scf_initialization.mod qs_ks_methods.mod xas_restart.mod message_passing.mod qs_loc_methods.mod qs_scf_diagonalization.mod qs_mo_occupation.mod qs_mo_io.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:09 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf.mod' due to: almo_scf.o /build/reproducible-path/cp2k-2023.1/src/almo_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_kind_types.mod qs_mo_types.mod mscfg_types.mod qs_scf_types.mod cp_para_types.mod almo_scf_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod bibliography.mod cp_dbcsr_operations.mod domain_submatrix_methods.mod almo_scf_methods.mod qs_atomic_block.mod almo_scf_optimizer.mod mathlib.mod message_passing.mod cp_log_handling.mod kinds.mod iterate_matrix.mod input_constants.mod qs_initial_guess.mod base_hooks.mod cp_para_env.mod almo_scf_qs.mod cp_dbcsr_diag.mod cp_blacs_env.mod qs_scf_post_scf.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod xas_env_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod cp_fm_pool_types.mod particle_types.mod qs_diis.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_external_control.mod ai_contraction.mod particle_methods.mod qs_loc_utils.mod cp_fm_struct.mod cp_dbcsr_operations.mod periodic_table.mod input_constants.mod kinds.mod xas_control.mod xas_tp_scf.mod qs_scf.mod cp_array_utils.mod qs_mo_methods.mod ai_overlap.mod qs_operators_ao.mod qs_pdos.mod memory_utilities.mod qs_scf_initialization.mod xas_restart.mod qs_loc_methods.mod orbital_pointers.mod parallel_gemm_api.mod qs_matrix_pools.mod qs_mo_io.mod cp_dbcsr_cp2k_link.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_methods.F xas_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_im_time_force_methods.mod' due to: rpa_im_time_force_methods.o /build/reproducible-path/cp2k-2023.1/src/rpa_im_time_force_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_poisson_types.mod qs_environment_types.mod mp2_types.mod basis_set_types.mod cell_types.mod particle_types.mod realspace_grid_types.mod virial_types.mod qs_mo_types.mod cp_para_types.mod qs_force_types.mod qs_ks_types.mod pw_pool_types.mod admm_types.mod distribution_2d_types.mod pw_types.mod hfx_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod rpa_im_time_force_types.mod qs_rho_types.mod qs_p_env_types.mod cp_fm_types.mod qs_kind_types.mod hfx_ri.mod qs_integral_utils.mod qs_energy_matrix_w.mod ao_util.mod qs_integrate_potential.mod iterate_matrix.mod cp_dbcsr_diag.mod cp_eri_mme_interface.mod qs_density_matrices.mod qs_ks_methods.mod cp_dbcsr_cholesky.mod qs_kinetic.mod core_ppl.mod particle_methods.mod cp_dbcsr_operations.mod input_constants.mod gaussian_gridlevels.mod mathconstants.mod cp_blacs_env.mod qs_collocate_density.mod hfx_admm_utils.mod parallel_gemm_api.mod pw_methods.mod qs_overlap.mod rpa_hfx.mod kinds.mod response_solver.mod qs_p_env_methods.mod dbt_api.mod mp2_eri_gpw.mod pw_poisson_methods.mod orbital_pointers.mod base_hooks.mod qs_interactions.mod mp2_eri.mod rpa_im_time.mod admm_methods.mod ec_methods.mod libint_2c_3c.mod machine.mod cp_fm_struct.mod rs_pw_interface.mod qs_ks_reference.mod cp_para_env.mod message_passing.mod hfx_derivatives.mod core_ppnl.mod qs_tensors.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rpa_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/rpa_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod hfx_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod dgemm_counter_types.mod mp2_types.mod rpa_im_time_force_types.mod group_dist_types.mod kpoint_types.mod bibliography.mod rpa_im_time.mod machine.mod cp_fm_struct.mod rpa_gw.mod rpa_gw_kpoints_util.mod rpa_im_time_force_methods.mod input_constants.mod rpa_grad.mod mp2_grids.mod kinds.mod dbt_api.mod minimax_exp.mod bse.mod mathconstants.mod mp2_ri_grad_util.mod cp_blacs_env.mod util.mod cp_fm_basic_linalg.mod cp_para_env.mod mp2_laplace.mod message_passing.mod rpa_axk.mod rpa_util.mod rpa_gw_ic.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/rpa_main.F rpa_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rpa_main.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'almo_scf.mod' due to: almo_scf.o /build/reproducible-path/cp2k-2023.1/src/almo_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod almo_scf_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_environment_types.mod mscfg_types.mod qs_scf_types.mod input_section_types.mod qs_kind_types.mod particle_types.mod bibliography.mod domain_submatrix_methods.mod cp_log_handling.mod qs_scf_post_scf.mod mathlib.mod cp_dbcsr_operations.mod iterate_matrix.mod cp_dbcsr_diag.mod input_constants.mod kinds.mod almo_scf_optimizer.mod almo_scf_methods.mod cp_blacs_env.mod cp_para_env.mod qs_atomic_block.mod message_passing.mod almo_scf_qs.mod qs_initial_guess.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tp_scf.mod' due to: xas_tp_scf.o /build/reproducible-path/cp2k-2023.1/src/xas_tp_scf.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_energy_types.mod qs_loc_types.mod qs_kind_types.mod qs_mo_types.mod qs_charges_types.mod xas_env_types.mod qs_density_mixing_types.mod preconditioner_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod qs_rho_types.mod scf_control_types.mod input_section_types.mod qs_scf_diagonalization.mod qs_rho_methods.mod cp_array_utils.mod qs_scf.mod qs_loc_methods.mod cp_external_control.mod qs_scf_methods.mod xas_restart.mod qs_ot_eigensolver.mod message_passing.mod xas_control.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod qs_mo_io.mod qs_mo_occupation.mod cp_output_handling.mod qs_scf_output.mod base_hooks.mod preconditioner.mod particle_methods.mod qs_density_matrices.mod machine.mod cp_blacs_env.mod qs_mixing_utils.mod qs_scf_initialization.mod qs_ks_methods.mod qs_gspace_mixing.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_loc_types.mod qs_kind_types.mod qs_mo_types.mod xas_env_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_matrix_pools.mod cp_array_utils.mod qs_loc_utils.mod cp_dbcsr_cp2k_link.mod qs_scf.mod ai_contraction.mod qs_loc_methods.mod cp_external_control.mod cp_dbcsr_operations.mod memory_utilities.mod xas_restart.mod xas_tp_scf.mod xas_control.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod physcon.mod qs_mo_io.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod periodic_table.mod cp_fm_struct.mod particle_methods.mod qs_operators_ao.mod qs_scf_initialization.mod ai_overlap.mod qs_diis.mod qs_pdos.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_methods.F xas_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_methods.F90 /build/reproducible-path/cp2k-2023.1/src/rpa_gw_sigma_x.F:672:75: 672 | -kpoints_Sigma%xkp(2, ikp), -kpoints_Sigma%xkp(3, ikp) @@ -63206,17 +63242,17 @@ 145 | LOGICAL :: do_admm, do_exck, do_hfx, do_hfxlr, & | ^ note: 'do_exck' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw_sigma_x.mod' due to: rpa_gw_sigma_x.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw_sigma_x.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_energy_types.mod qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod input_section_types.mod admm_types.mod kpoint_types.mod hfx_ri.mod admm_methods.mod physcon.mod cp_files.mod machine.mod cp_fm_struct.mod mp2_ri_2c.mod rpa_gw.mod cp_dbcsr_operations.mod mp2_integrals.mod rpa_gw_kpoints_util.mod rpa_hfx.mod input_constants.mod kinds.mod mathconstants.mod kpoint_methods.mod qs_ks_methods.mod message_passing.mod parallel_gemm_api.mod cp_dbcsr_cp2k_link.mod cp_cfm_basic_linalg.mod hfx_energy_potential.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_gw_sigma_x.mod' due to: rpa_gw_sigma_x.o /build/reproducible-path/cp2k-2023.1/src/rpa_gw_sigma_x.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod qs_mo_types.mod admm_types.mod cp_para_types.mod kpoint_types.mod qs_rho_types.mod input_section_types.mod parallel_gemm_api.mod rpa_gw.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod cp_files.mod hfx_ri.mod admm_methods.mod cp_cfm_basic_linalg.mod mathconstants.mod message_passing.mod kinds.mod input_constants.mod physcon.mod base_hooks.mod hfx_energy_potential.mod mp2_integrals.mod cp_fm_struct.mod kpoint_methods.mod machine.mod rpa_hfx.mod mp2_ri_2c.mod qs_ks_methods.mod rpa_gw_kpoints_util.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_methods.mod' due to: qs_tddfpt2_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod exstates_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod qs_tddfpt2_types.mod lri_environment_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod qs_kernel_types.mod cell_types.mod admm_types.mod cp_fm_pool_types.mod qs_tddfpt2_fprint.mod bibliography.mod qs_tddfpt2_forces.mod xc_write_output.mod cp_log_handling.mod qs_tddfpt2_lri_utils.mod physcon.mod qs_tddfpt2_restart.mod cp_output_handling.mod machine.mod qs_tddfpt2_eigensolver.mod cp_fm_struct.mod qs_tddfpt2_subgroups.mod string_utilities.mod cp_dbcsr_operations.mod input_constants.mod kinds.mod lri_environment_methods.mod header.mod qs_scf_methods.mod qs_2nd_kernel_ao.mod cp_blacs_env.mod qs_tddfpt2_densities.mod qs_tddfpt2_properties.mod mulliken.mod qs_tddfpt2_stda_utils.mod base_hooks.mod qs_tddfpt2_utils.mod qs_kernel_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_tddfpt2_methods.mod' due to: qs_tddfpt2_methods.o /build/reproducible-path/cp2k-2023.1/src/qs_tddfpt2_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_tddfpt2_stda_types.mod exstates_types.mod hfx_types.mod qs_mo_types.mod qs_tddfpt2_types.mod qs_kernel_types.mod lri_environment_types.mod admm_types.mod qs_scf_types.mod cp_para_types.mod cell_types.mod input_section_types.mod mulliken.mod qs_tddfpt2_fprint.mod cp_dbcsr_operations.mod bibliography.mod lri_environment_methods.mod xc_write_output.mod qs_kernel_methods.mod qs_tddfpt2_utils.mod qs_tddfpt2_densities.mod qs_scf_methods.mod string_utilities.mod qs_tddfpt2_lri_utils.mod qs_tddfpt2_eigensolver.mod qs_tddfpt2_properties.mod qs_2nd_kernel_ao.mod cp_log_handling.mod kinds.mod qs_tddfpt2_subgroups.mod input_constants.mod physcon.mod qs_tddfpt2_stda_utils.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod qs_tddfpt2_restart.mod qs_tddfpt2_forces.mod header.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'energy_corrections.mod' due to: energy_corrections.o /build/reproducible-path/cp2k-2023.1/src/energy_corrections.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_dispersion_types.mod pw_poisson_types.mod qs_environment_types.mod pw_grid_types.mod distribution_1d_types.mod basis_set_types.mod cell_types.mod particle_types.mod virial_types.mod qs_mo_types.mod cp_para_types.mod qs_force_types.mod qs_ks_types.mod preconditioner_types.mod pw_pool_types.mod external_potential_types.mod distribution_2d_types.mod pw_types.mod cp_control_types.mod atomic_kind_types.mod pw_env_types.mod molecule_types.mod qs_neighbor_list_types.mod task_list_types.mod dm_ls_scf_types.mod input_section_types.mod qs_energy_types.mod qs_rho_types.mod cp_result_types.mod cp_fm_types.mod qs_kind_types.mod qs_integrate_potential.mod voronoi_interface.mod qs_density_matrices.mod qs_dispersion_pairpot.mod qs_ks_methods.mod virial_methods.mod qs_kinetic.mod cp_fm_cholesky.mod core_ppl.mod string_utilities.mod cp_dbcsr_operations.mod preconditioner.mod periodic_table.mod input_constants.mod cp_blacs_env.mod qs_collocate_density.mod qs_moments.mod cp_fm_basic_linalg.mod dm_ls_scf_qs.mod physcon.mod cp_output_handling.mod pw_methods.mod mathlib.mod qs_overlap.mod kinds.mod response_solver.mod ec_efield_local.mod task_list_methods.mod qs_ot_eigensolver.mod pw_poisson_methods.mod qs_atomic_block.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_linres_kernel.mod cp_log_handling.mod dm_ls_scf.mod admm_methods.mod qs_neighbor_lists.mod ec_methods.mod cp_fm_struct.mod qs_core_energies.mod dm_ls_scf_methods.mod cp_result_methods.mod cp_fm_diag.mod qs_mo_methods.mod qs_ks_reference.mod message_passing.mod mao_basis.mod moments_utils.mod core_ppnl.mod qs_vxc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'energy_corrections.mod' due to: energy_corrections.o /build/reproducible-path/cp2k-2023.1/src/energy_corrections.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_ks_types.mod qs_neighbor_list_types.mod ec_env_types.mod virial_types.mod pw_pool_types.mod particle_types.mod cp_fm_types.mod qs_force_types.mod distribution_1d_types.mod qs_energy_types.mod qs_mo_types.mod external_potential_types.mod dm_ls_scf_types.mod cell_types.mod qs_rho_types.mod distribution_2d_types.mod input_section_types.mod atomic_kind_types.mod qs_environment_types.mod basis_set_types.mod pw_types.mod task_list_types.mod cp_result_types.mod pw_grid_types.mod pw_env_types.mod molecule_types.mod qs_dispersion_types.mod cp_control_types.mod qs_kind_types.mod preconditioner_types.mod cp_para_types.mod pw_poisson_types.mod qs_collocate_density.mod task_list_methods.mod qs_core_energies.mod qs_integrate_potential.mod input_constants.mod physcon.mod dm_ls_scf_qs.mod cp_output_handling.mod base_hooks.mod core_ppl.mod cp_fm_cholesky.mod ec_efield_local.mod cp_dbcsr_operations.mod admm_methods.mod response_solver.mod pw_methods.mod voronoi_interface.mod message_passing.mod cp_fm_basic_linalg.mod qs_mo_methods.mod qs_neighbor_lists.mod preconditioner.mod periodic_table.mod cp_fm_struct.mod qs_density_matrices.mod pw_poisson_methods.mod core_ppnl.mod qs_vxc.mod cp_result_methods.mod qs_moments.mod string_utilities.mod qs_ot_eigensolver.mod qs_atomic_block.mod cp_log_handling.mod kinds.mod qs_dispersion_pairpot.mod cp_dbcsr_cp2k_link.mod virial_methods.mod moments_utils.mod qs_overlap.mod dm_ls_scf.mod mathlib.mod ec_methods.mod dm_ls_scf_methods.mod qs_linres_kernel.mod qs_ks_reference.mod cp_blacs_env.mod cp_fm_diag.mod mao_basis.mod qs_ks_methods.mod qs_kinetic.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_methods.mod' due to: xas_methods.o /build/reproducible-path/cp2k-2023.1/src/xas_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_loc_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_neighbor_list_types.mod qs_scf_types.mod xas_env_types.mod input_section_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod cp_fm_pool_types.mod particle_types.mod qs_diis.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_external_control.mod ai_contraction.mod particle_methods.mod qs_loc_utils.mod cp_fm_struct.mod cp_dbcsr_operations.mod periodic_table.mod input_constants.mod kinds.mod xas_control.mod xas_tp_scf.mod qs_scf.mod cp_array_utils.mod qs_mo_methods.mod ai_overlap.mod qs_operators_ao.mod qs_pdos.mod memory_utilities.mod qs_scf_initialization.mod xas_restart.mod qs_loc_methods.mod orbital_pointers.mod parallel_gemm_api.mod qs_matrix_pools.mod qs_mo_io.mod cp_dbcsr_cp2k_link.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_methods.mod' due to: xas_methods.o /build/reproducible-path/cp2k-2023.1/src/xas_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_fm_pool_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod cp_control_types.mod basis_set_types.mod qs_loc_types.mod qs_kind_types.mod qs_mo_types.mod xas_env_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod scf_control_types.mod input_section_types.mod parallel_gemm_api.mod qs_matrix_pools.mod cp_array_utils.mod qs_loc_utils.mod cp_dbcsr_cp2k_link.mod qs_scf.mod ai_contraction.mod qs_loc_methods.mod cp_external_control.mod cp_dbcsr_operations.mod memory_utilities.mod xas_restart.mod xas_tp_scf.mod xas_control.mod cp_log_handling.mod qs_mo_methods.mod kinds.mod input_constants.mod physcon.mod qs_mo_io.mod orbital_pointers.mod cp_output_handling.mod base_hooks.mod periodic_table.mod cp_fm_struct.mod particle_methods.mod qs_operators_ao.mod qs_scf_initialization.mod ai_overlap.mod qs_diis.mod qs_pdos.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod qs_loc_types.mod qs_mo_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod xas_tdp_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod admm_types.mod particle_types.mod xas_tdp_utils.mod xas_tdp_correction.mod libint_wrapper.mod bibliography.mod xc_write_output.mod cp_log_handling.mod physcon.mod cp_output_handling.mod particle_methods.mod cp_files.mod machine.mod cp_fm_struct.mod qs_loc_utils.mod mathlib.mod cp_dbcsr_operations.mod input_cp2k_loc.mod periodic_table.mod input_constants.mod admm_utils.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod qs_operators_ao.mod qs_pdos.mod cp_blacs_env.mod xas_methods.mod memory_utilities.mod cp_fm_basic_linalg.mod util.mod message_passing.mod qs_loc_methods.mod xas_tdp_atom.mod parallel_gemm_api.mod qs_mo_io.mod base_hooks.mod qs_interactions.mod xas_tdp_integrals.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'xas_tdp_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod basis_set_types.mod qs_loc_types.mod qs_kind_types.mod qs_mo_types.mod input_section_types.mod admm_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod xas_tdp_types.mod qs_rho_types.mod parallel_rng_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_loc_utils.mod xas_tdp_atom.mod qs_loc_methods.mod xas_methods.mod cp_dbcsr_operations.mod bibliography.mod cp_files.mod xc_write_output.mod memory_utilities.mod xas_tdp_integrals.mod libint_wrapper.mod mathlib.mod util.mod qs_interactions.mod message_passing.mod cp_fm_basic_linalg.mod input_cp2k_loc.mod cp_log_handling.mod qs_mo_methods.mod xas_tdp_utils.mod kinds.mod input_constants.mod physcon.mod qs_mo_io.mod cp_output_handling.mod base_hooks.mod xas_tdp_correction.mod periodic_table.mod cp_fm_struct.mod particle_methods.mod qs_operators_ao.mod machine.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod qs_pdos.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/xas_tdp_methods.F xas_tdp_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:42 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' xas_tdp_methods.F90 /build/reproducible-path/cp2k-2023.1/src/xas_tdp_methods.F:2537:26: 2537 | nmo = SIZE(lr_evals) @@ -63250,6 +63286,11 @@ 2457 | ncubes, ndo_mo, ndo_so, nlumo, nmo, nspins, output_unit | ^ note: 'nspins' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_main.mod' due to: rpa_main.o /build/reproducible-path/cp2k-2023.1/src/rpa_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod qs_environment_types.mod dgemm_counter_types.mod mp2_types.mod hfx_types.mod rpa_im_time_force_types.mod cp_para_types.mod kpoint_types.mod group_dist_types.mod cp_fm_types.mod rpa_gw.mod minimax_exp.mod mp2_ri_grad_util.mod bibliography.mod mathconstants.mod util.mod dbt_api.mod message_passing.mod rpa_grad.mod cp_fm_basic_linalg.mod mp2_grids.mod rpa_im_time_force_methods.mod kinds.mod input_constants.mod base_hooks.mod rpa_im_time.mod rpa_axk.mod bse.mod cp_fm_struct.mod cp_para_env.mod mp2_laplace.mod rpa_gw_ic.mod machine.mod cp_blacs_env.mod rpa_gw_kpoints_util.mod rpa_util.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_gpw.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_gpw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod mp2_types.mod cp_control_types.mod basis_set_types.mod hfx_types.mod qs_kind_types.mod qs_mo_types.mod input_section_types.mod molecule_kind_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod group_dist_types.mod cell_types.mod distribution_2d_types.mod cp_fm_types.mod mp2_cphf.mod cp_dbcsr_cp2k_link.mod mp2_gpw_method.mod cp_dbcsr_operations.mod rpa_main.mod mp2_ri_grad.mod distribution_methods.mod libint_wrapper.mod qs_interactions.mod dbt_api.mod message_passing.mod cp_log_handling.mod rpa_rse.mod kinds.mod input_constants.mod qs_neighbor_lists.mod base_hooks.mod mp2_integrals.mod cp_fm_struct.mod particle_methods.mod cp_para_env.mod mp2_ri_gpw.mod machine.mod cp_blacs_env.mod qs_integral_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_gpw.F mp2_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_gpw.F90 /build/reproducible-path/cp2k-2023.1/src/xas_tdp_methods.F:1513:41: 1513 | ALLOCATE (my_mos(n_states, nspins)) @@ -63360,49 +63401,42 @@ 2153 | ngs, nosc, nspins | ^ note: 'nspins' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rpa_main.mod' due to: rpa_main.o /build/reproducible-path/cp2k-2023.1/src/rpa_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod hfx_types.mod cp_para_types.mod cp_fm_types.mod qs_environment_types.mod dgemm_counter_types.mod mp2_types.mod rpa_im_time_force_types.mod group_dist_types.mod kpoint_types.mod bibliography.mod rpa_im_time.mod machine.mod cp_fm_struct.mod rpa_gw.mod rpa_gw_kpoints_util.mod rpa_im_time_force_methods.mod input_constants.mod rpa_grad.mod mp2_grids.mod kinds.mod dbt_api.mod minimax_exp.mod bse.mod mathconstants.mod mp2_ri_grad_util.mod cp_blacs_env.mod util.mod cp_fm_basic_linalg.mod cp_para_env.mod mp2_laplace.mod message_passing.mod rpa_axk.mod rpa_util.mod rpa_gw_ic.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_gpw.mod' due to: mp2_gpw.o /build/reproducible-path/cp2k-2023.1/src/mp2_gpw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod mp2_types.mod cp_control_types.mod basis_set_types.mod hfx_types.mod qs_kind_types.mod qs_mo_types.mod input_section_types.mod molecule_kind_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod group_dist_types.mod cell_types.mod distribution_2d_types.mod cp_fm_types.mod mp2_cphf.mod cp_dbcsr_cp2k_link.mod mp2_gpw_method.mod cp_dbcsr_operations.mod rpa_main.mod mp2_ri_grad.mod distribution_methods.mod libint_wrapper.mod qs_interactions.mod dbt_api.mod message_passing.mod cp_log_handling.mod rpa_rse.mod kinds.mod input_constants.mod qs_neighbor_lists.mod base_hooks.mod mp2_integrals.mod cp_fm_struct.mod particle_methods.mod cp_para_env.mod mp2_ri_gpw.mod machine.mod cp_blacs_env.mod qs_integral_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2_gpw.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2_gpw.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod input_section_types.mod group_dist_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod libint_wrapper.mod qs_integral_utils.mod cp_log_handling.mod qs_neighbor_lists.mod particle_methods.mod machine.mod cp_fm_struct.mod distribution_methods.mod rpa_main.mod cp_dbcsr_operations.mod mp2_cphf.mod mp2_integrals.mod input_constants.mod kinds.mod dbt_api.mod mp2_gpw_method.mod rpa_rse.mod cp_blacs_env.mod cp_para_env.mod message_passing.mod mp2_ri_gpw.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_interactions.mod mp2_ri_grad.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2_gpw.F mp2_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:50 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2_gpw.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_methods.mod' due to: xas_tdp_methods.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod qs_loc_types.mod qs_mo_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod input_section_types.mod xas_tdp_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod admm_types.mod particle_types.mod xas_tdp_utils.mod xas_tdp_correction.mod libint_wrapper.mod bibliography.mod xc_write_output.mod cp_log_handling.mod physcon.mod cp_output_handling.mod particle_methods.mod cp_files.mod machine.mod cp_fm_struct.mod qs_loc_utils.mod mathlib.mod cp_dbcsr_operations.mod input_cp2k_loc.mod periodic_table.mod input_constants.mod admm_utils.mod kinds.mod cp_fm_diag.mod qs_mo_methods.mod qs_operators_ao.mod qs_pdos.mod cp_blacs_env.mod xas_methods.mod memory_utilities.mod cp_fm_basic_linalg.mod util.mod message_passing.mod qs_loc_methods.mod xas_tdp_atom.mod parallel_gemm_api.mod qs_mo_io.mod base_hooks.mod qs_interactions.mod xas_tdp_integrals.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod hfx_types.mod qs_mo_types.mod virial_types.mod admm_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod scf_control_types.mod input_section_types.mod cp_fm_cholesky.mod mp2_optimize_ri_basis.mod cp_dbcsr_operations.mod bibliography.mod rpa_gw_sigma_x.mod qs_scf_methods.mod message_passing.mod mp2_gpw.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod mp2_direct_method.mod machine.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod rpa_hfx.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2.F mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'xas_tdp_methods.mod' due to: xas_tdp_methods.o /build/reproducible-path/cp2k-2023.1/src/xas_tdp_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_control_types.mod basis_set_types.mod qs_loc_types.mod qs_kind_types.mod qs_mo_types.mod input_section_types.mod admm_types.mod qs_scf_types.mod cp_para_types.mod particle_types.mod cell_types.mod xas_tdp_types.mod qs_rho_types.mod parallel_rng_types.mod cp_fm_types.mod parallel_gemm_api.mod qs_loc_utils.mod xas_tdp_atom.mod qs_loc_methods.mod xas_methods.mod cp_dbcsr_operations.mod bibliography.mod cp_files.mod xc_write_output.mod memory_utilities.mod xas_tdp_integrals.mod libint_wrapper.mod mathlib.mod util.mod qs_interactions.mod message_passing.mod cp_fm_basic_linalg.mod input_cp2k_loc.mod cp_log_handling.mod qs_mo_methods.mod xas_tdp_utils.mod kinds.mod input_constants.mod physcon.mod qs_mo_io.mod cp_output_handling.mod base_hooks.mod xas_tdp_correction.mod periodic_table.mod cp_fm_struct.mod particle_methods.mod qs_operators_ao.mod machine.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod qs_pdos.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod atprop_types.mod cp_control_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod pw_types.mod xas_tdp_methods.mod et_coupling.mod qs_integrate_potential.mod et_coupling_proj.mod kinds.mod tip_scan_methods.mod qs_scf.mod xas_methods.mod qs_tddfpt2_methods.mod qs_linres_module.mod qs_ks_methods.mod cp_control_utils.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod qs_rho_types.mod atprop_types.mod input_section_types.mod qs_scf.mod qs_linres_module.mod xas_methods.mod et_coupling.mod cp_control_utils.mod qs_integrate_potential.mod kinds.mod et_coupling_proj.mod qs_tddfpt2_methods.mod xas_tdp_methods.mod base_hooks.mod tip_scan_methods.mod qs_ks_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy_utils.F qs_energy_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_utils.mod' due to: qs_energy_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_rho_types.mod atprop_types.mod cp_control_types.mod pw_env_types.mod qs_environment_types.mod input_section_types.mod pw_types.mod xas_tdp_methods.mod et_coupling.mod qs_integrate_potential.mod et_coupling_proj.mod kinds.mod tip_scan_methods.mod qs_scf.mod xas_methods.mod qs_tddfpt2_methods.mod qs_linres_module.mod qs_ks_methods.mod cp_control_utils.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2_gpw.mod' due to: mp2_gpw.o /build/reproducible-path/cp2k-2023.1/src/mp2_gpw.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 hfx_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod molecule_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod mp2_types.mod input_section_types.mod group_dist_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_kind_types.mod basis_set_types.mod cell_types.mod particle_types.mod kpoint_types.mod distribution_2d_types.mod libint_wrapper.mod qs_integral_utils.mod cp_log_handling.mod qs_neighbor_lists.mod particle_methods.mod machine.mod cp_fm_struct.mod distribution_methods.mod rpa_main.mod cp_dbcsr_operations.mod mp2_cphf.mod mp2_integrals.mod input_constants.mod kinds.mod dbt_api.mod mp2_gpw_method.mod rpa_rse.mod cp_blacs_env.mod cp_para_env.mod message_passing.mod mp2_ri_gpw.mod cp_dbcsr_cp2k_link.mod base_hooks.mod qs_interactions.mod mp2_ri_grad.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mp2.o' due to: /build/reproducible-path/cp2k-2023.1/src/mp2.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod virial_types.mod hfx_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod mp2_types.mod input_section_types.mod qs_kind_types.mod admm_types.mod particle_types.mod kpoint_types.mod mp2_direct_method.mod bibliography.mod cp_fm_cholesky.mod cp_log_handling.mod cp_output_handling.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod rpa_gw_sigma_x.mod rpa_hfx.mod input_constants.mod admm_utils.mod kinds.mod mp2_optimize_ri_basis.mod cp_fm_diag.mod qs_scf_methods.mod mp2_gpw.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mp2.F mp2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:55 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy_utils.F90 /build/reproducible-path/cp2k-2023.1/src/mp2.F:120:58: 120 | ispin, max_nset, my_bin_size, n_rep_hf, n_threads, nao, natom, ncol_block, ndep, & | ^ Warning: 'n_threads' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2.mod' due to: mp2.o /build/reproducible-path/cp2k-2023.1/src/mp2.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 scf_control_types.mod qs_energy_types.mod virial_types.mod hfx_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod qs_environment_types.mod qs_scf_types.mod mp2_types.mod input_section_types.mod qs_kind_types.mod admm_types.mod particle_types.mod kpoint_types.mod mp2_direct_method.mod bibliography.mod cp_fm_cholesky.mod cp_log_handling.mod cp_output_handling.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod rpa_gw_sigma_x.mod rpa_hfx.mod input_constants.mod admm_utils.mod kinds.mod mp2_optimize_ri_basis.mod cp_fm_diag.mod qs_scf_methods.mod mp2_gpw.mod cp_blacs_env.mod cp_fm_basic_linalg.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy_utils.mod' due to: qs_energy_utils.o /build/reproducible-path/cp2k-2023.1/src/qs_energy_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pw_env_types.mod qs_environment_types.mod cp_control_types.mod qs_energy_types.mod pw_types.mod qs_rho_types.mod atprop_types.mod input_section_types.mod qs_scf.mod qs_linres_module.mod xas_methods.mod et_coupling.mod cp_control_utils.mod qs_integrate_potential.mod kinds.mod et_coupling_proj.mod qs_tddfpt2_methods.mod xas_tdp_methods.mod base_hooks.mod tip_scan_methods.mod qs_ks_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mp2.mod' due to: mp2.o /build/reproducible-path/cp2k-2023.1/src/mp2.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 atomic_kind_types.mod qs_environment_types.mod cp_fm_types.mod mp2_types.mod cp_control_types.mod qs_energy_types.mod qs_kind_types.mod hfx_types.mod qs_mo_types.mod virial_types.mod admm_types.mod qs_scf_types.mod cp_para_types.mod kpoint_types.mod particle_types.mod scf_control_types.mod input_section_types.mod cp_fm_cholesky.mod mp2_optimize_ri_basis.mod cp_dbcsr_operations.mod bibliography.mod rpa_gw_sigma_x.mod qs_scf_methods.mod message_passing.mod mp2_gpw.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod mp2_direct_method.mod machine.mod admm_utils.mod cp_blacs_env.mod cp_fm_diag.mod rpa_hfx.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod input_section_types.mod qs_environment_types.mod cp_control_types.mod lri_environment_methods.mod qs_ks_methods.mod qs_matrix_w.mod excited_states.mod almo_scf.mod mp2.mod dm_ls_scf.mod qs_energy_utils.mod qs_environment_methods.mod energy_corrections.mod base_hooks.mod qs_energy_init.mod cp_external_control.mod qs_scf.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_energy.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_energy.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_environment_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod qs_environment_methods.mod qs_scf.mod excited_states.mod qs_matrix_w.mod energy_corrections.mod lri_environment_methods.mod dm_ls_scf.mod mp2.mod almo_scf.mod qs_energy_init.mod qs_ks_methods.mod cp_external_control.mod qs_energy_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_energy.F qs_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy.mod' due to: qs_energy.o /build/reproducible-path/cp2k-2023.1/src/qs_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod input_section_types.mod qs_environment_types.mod cp_control_types.mod lri_environment_methods.mod qs_ks_methods.mod qs_matrix_w.mod excited_states.mod almo_scf.mod mp2.mod dm_ls_scf.mod qs_energy_utils.mod qs_environment_methods.mod energy_corrections.mod base_hooks.mod qs_energy_init.mod cp_external_control.mod qs_scf.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_energy.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_energy.mod' due to: qs_energy.o /build/reproducible-path/cp2k-2023.1/src/qs_energy.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod qs_environment_types.mod input_section_types.mod cp_control_types.mod base_hooks.mod qs_environment_methods.mod qs_scf.mod excited_states.mod qs_matrix_w.mod energy_corrections.mod lri_environment_methods.mod dm_ls_scf.mod mp2.mod almo_scf.mod qs_energy_init.mod qs_ks_methods.mod cp_external_control.mod qs_energy_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod particle_types.mod rt_propagation_forces.mod cp_log_handling.mod se_core_core.mod energy_corrections.mod dft_plus_u.mod cp_output_handling.mod qs_scf_post_scf.mod qs_dftb_matrices.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod mp2_cphf.mod qs_core_energies.mod qs_dftb_dispersion.mod rpa_hfx.mod input_constants.mod kinds.mod qs_external_potential.mod xtb_matrices.mod qs_energy.mod qs_core_hamiltonian.mod ri_environment_methods.mod qs_ks_methods.mod message_passing.mod excited_states.mod se_core_matrix.mod mulliken.mod base_hooks.mod qs_environment_methods.mod efield_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qs_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/qs_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod ec_env_types.mod cp_control_types.mod qs_energy_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod dft_plus_u.mod ri_environment_methods.mod mp2_cphf.mod xtb_matrices.mod mulliken.mod se_core_matrix.mod excited_states.mod energy_corrections.mod efield_utils.mod cp_dbcsr_operations.mod se_core_core.mod qs_core_energies.mod qs_core_hamiltonian.mod qs_dftb_matrices.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod rt_propagation_forces.mod qs_dftb_dispersion.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod qs_environment_methods.mod qs_energy.mod qs_external_potential.mod rpa_hfx.mod qs_ks_methods.mod qs_scf_post_scf.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qs_force.F qs_force.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod pw_types.mod pw_env_types.mod cp_fm_types.mod negf_control_types.mod qs_environment_types.mod qs_subsys_types.mod qs_density_mixing_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod cell_types.mod particle_types.mod kpoint_types.mod negf_subgroup_types.mod negf_atom_map.mod negf_vectors.mod negf_matrix_utils.mod cp_fm_struct.mod qs_integrate_potential.mod kinds.mod qs_energy.mod cp_blacs_env.mod qs_energy_init.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_env_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_env_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod force_env_types.mod pw_env_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod pw_types.mod qs_mo_types.mod qs_density_mixing_types.mod cp_para_types.mod pw_pool_types.mod kpoint_types.mod particle_types.mod negf_subgroup_types.mod cell_types.mod qs_rho_types.mod negf_control_types.mod input_section_types.mod negf_vectors.mod negf_atom_map.mod qs_energy_init.mod message_passing.mod qs_integrate_potential.mod kinds.mod negf_matrix_utils.mod base_hooks.mod qs_energy.mod cp_fm_struct.mod cp_blacs_env.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_env_types.F negf_env_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mscfg_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/mscfg_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod almo_scf_types.mod qs_mo_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod qs_environment_types.mod mscfg_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod cp_dbcsr_operations.mod qs_environment.mod input_constants.mod kinds.mod qs_energy.mod cp_subsys_methods.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_force.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mscfg_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/mscfg_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_energy_types.mod qs_mo_types.mod mscfg_types.mod global_types.mod cp_para_types.mod almo_scf_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_section_types.mod qs_environment.mod cp_dbcsr_operations.mod cp_log_handling.mod kinds.mod input_constants.mod cp_subsys_methods.mod base_hooks.mod qs_energy.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mscfg_methods.F mscfg_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bsse.o' due to: /build/reproducible-path/cp2k-2023.1/src/bsse.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod cp_para_types.mod atomic_kind_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod cp_output_handling.mod cp_external_control.mod string_utilities.mod qs_environment.mod input_constants.mod kinds.mod qs_energy.mod memory_utilities.mod cp_subsys_methods.mod base_hooks.mod cp2k_info.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_env_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bsse.o' due to: /build/reproducible-path/cp2k-2023.1/src/bsse.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_energy_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_section_types.mod qs_environment.mod cp_external_control.mod memory_utilities.mod string_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod cp_subsys_methods.mod cp_output_handling.mod cp2k_info.mod base_hooks.mod qs_energy.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/bsse.F bsse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qs_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mscfg_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:40:59 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bsse.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mscfg_methods.mod' due to: mscfg_methods.o /build/reproducible-path/cp2k-2023.1/src/mscfg_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod almo_scf_types.mod qs_mo_types.mod cp_para_types.mod atomic_kind_types.mod molecule_types.mod cp_subsys_types.mod qs_environment_types.mod mscfg_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod cp_dbcsr_operations.mod qs_environment.mod input_constants.mod kinds.mod qs_energy.mod cp_subsys_methods.mod base_hooks.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mscfg_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bsse.F90 /build/reproducible-path/cp2k-2023.1/src/negf_env_types.F:1052:13: 1052 | IF (imo == 0) THEN @@ -63413,18 +63447,15 @@ 996 | INTEGER :: handle, homo, ikpgr, ikpoint, imo, & | ^ note: 'imo' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bsse.mod' due to: bsse.o /build/reproducible-path/cp2k-2023.1/src/bsse.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod cp_para_types.mod atomic_kind_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod cp_output_handling.mod cp_external_control.mod string_utilities.mod qs_environment.mod input_constants.mod kinds.mod qs_energy.mod memory_utilities.mod cp_subsys_methods.mod base_hooks.mod cp2k_info.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mscfg_methods.mod' due to: mscfg_methods.o /build/reproducible-path/cp2k-2023.1/src/mscfg_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod molecule_types.mod atomic_kind_types.mod qs_environment_types.mod qs_energy_types.mod qs_mo_types.mod mscfg_types.mod global_types.mod cp_para_types.mod almo_scf_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_section_types.mod qs_environment.mod cp_dbcsr_operations.mod cp_log_handling.mod kinds.mod input_constants.mod cp_subsys_methods.mod base_hooks.mod qs_energy.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_env_types.mod' due to: negf_env_types.o /build/reproducible-path/cp2k-2023.1/src/negf_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_rho_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod pw_types.mod pw_env_types.mod cp_fm_types.mod negf_control_types.mod qs_environment_types.mod qs_subsys_types.mod qs_density_mixing_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod cell_types.mod particle_types.mod kpoint_types.mod negf_subgroup_types.mod negf_atom_map.mod negf_vectors.mod negf_matrix_utils.mod cp_fm_struct.mod qs_integrate_potential.mod kinds.mod qs_energy.mod cp_blacs_env.mod qs_energy_init.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bsse.mod' due to: bsse.o /build/reproducible-path/cp2k-2023.1/src/bsse.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod qs_environment_types.mod qs_energy_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod input_section_types.mod qs_environment.mod cp_external_control.mod memory_utilities.mod string_utilities.mod cp_log_handling.mod kinds.mod input_constants.mod cp_subsys_methods.mod cp_output_handling.mod cp2k_info.mod base_hooks.mod qs_energy.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod global_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod negf_env_types.mod cp_fm_types.mod negf_control_types.mod cp_subsys_types.mod qs_environment_types.mod qs_subsys_types.mod qs_density_mixing_types.mod input_section_types.mod force_env_types.mod kpoint_types.mod negf_subgroup_types.mod negf_green_cache.mod bibliography.mod qs_gspace_mixing.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod negf_integr_simpson.mod cp_fm_struct.mod negf_matrix_utils.mod cp_dbcsr_operations.mod qs_mixing_utils.mod string_utilities.mod negf_green_methods.mod negf_integr_cc.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_scf_methods.mod mathconstants.mod cp_blacs_env.mod cp_fm_basic_linalg.mod qs_ks_methods.mod message_passing.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_methods.F negf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:03 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_force.mod' due to: qs_force.o /build/reproducible-path/cp2k-2023.1/src/qs_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 ec_env_types.mod qs_energy_types.mod virial_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod qs_force_types.mod atomic_kind_types.mod qs_ks_types.mod lri_environment_types.mod qs_environment_types.mod qs_subsys_types.mod input_section_types.mod particle_types.mod rt_propagation_forces.mod cp_log_handling.mod se_core_core.mod energy_corrections.mod dft_plus_u.mod cp_output_handling.mod qs_scf_post_scf.mod qs_dftb_matrices.mod cp_dbcsr_output.mod cp_dbcsr_operations.mod mp2_cphf.mod qs_core_energies.mod qs_dftb_dispersion.mod rpa_hfx.mod input_constants.mod kinds.mod qs_external_potential.mod xtb_matrices.mod qs_energy.mod qs_core_hamiltonian.mod ri_environment_methods.mod qs_ks_methods.mod message_passing.mod excited_states.mod se_core_matrix.mod mulliken.mod base_hooks.mod qs_environment_methods.mod efield_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_env_types.mod' due to: negf_env_types.o /build/reproducible-path/cp2k-2023.1/src/negf_env_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod force_env_types.mod pw_env_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod pw_types.mod qs_mo_types.mod qs_density_mixing_types.mod cp_para_types.mod pw_pool_types.mod kpoint_types.mod particle_types.mod negf_subgroup_types.mod cell_types.mod qs_rho_types.mod negf_control_types.mod input_section_types.mod negf_vectors.mod negf_atom_map.mod qs_energy_init.mod message_passing.mod qs_integrate_potential.mod kinds.mod negf_matrix_utils.mod base_hooks.mod qs_energy.mod cp_fm_struct.mod cp_blacs_env.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cp_result_types.mod qmmm_types.mod fist_energy_types.mod cp_subsys_types.mod qmmm_types_low.mod qs_environment_types.mod fist_environment_types.mod input_section_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod qs_force.mod cp_output_handling.mod qs_ks_qmmm_methods.mod qmmm_gpw_forces.mod kinds.mod qmmm_util.mod fist_force.mod cp_result_methods.mod qmmm_gpw_energy.mod qmmm_links_methods.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_force.F qmmm_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:04 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_force.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'negf_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/negf_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod force_env_types.mod qs_subsys_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_density_mixing_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod kpoint_types.mod negf_subgroup_types.mod qs_rho_types.mod negf_control_types.mod negf_env_types.mod input_section_types.mod parallel_gemm_api.mod qs_rho_methods.mod negf_integr_simpson.mod cp_dbcsr_operations.mod bibliography.mod string_utilities.mod qs_scf_methods.mod cp_cfm_basic_linalg.mod mathconstants.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod negf_matrix_utils.mod cp_output_handling.mod negf_green_cache.mod base_hooks.mod negf_integr_cc.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod qs_mixing_utils.mod qs_ks_methods.mod negf_green_methods.mod qs_gspace_mixing.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/negf_methods.F negf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:36 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' negf_methods.F90 /build/reproducible-path/cp2k-2023.1/src/negf_methods.F:1413:81: 1413 | gret_gamma_gadv_group @@ -63451,31 +63482,21 @@ 1412 | TYPE(cp_cfm_p_type), ALLOCATABLE, DIMENSION(:, :) :: gamma_contacts_group, & | ^ note: 'gamma_contacts_group.offset' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_force.mod' due to: qmmm_force.o /build/reproducible-path/cp2k-2023.1/src/qmmm_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_energy_types.mod cp_result_types.mod qmmm_types.mod fist_energy_types.mod cp_subsys_types.mod qmmm_types_low.mod qs_environment_types.mod fist_environment_types.mod input_section_types.mod cell_types.mod particle_types.mod cp_log_handling.mod physcon.mod qs_force.mod cp_output_handling.mod qs_ks_qmmm_methods.mod qmmm_gpw_forces.mod kinds.mod qmmm_util.mod fist_force.mod cp_result_methods.mod qmmm_gpw_energy.mod qmmm_links_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qs_force.mod' due to: qs_force.o /build/reproducible-path/cp2k-2023.1/src/qs_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_subsys_types.mod qs_ks_types.mod atomic_kind_types.mod qs_environment_types.mod qs_force_types.mod ec_env_types.mod cp_control_types.mod qs_energy_types.mod virial_types.mod lri_environment_types.mod cp_para_types.mod particle_types.mod qs_rho_types.mod input_section_types.mod dft_plus_u.mod ri_environment_methods.mod mp2_cphf.mod xtb_matrices.mod mulliken.mod se_core_matrix.mod excited_states.mod energy_corrections.mod efield_utils.mod cp_dbcsr_operations.mod se_core_core.mod qs_core_energies.mod qs_core_hamiltonian.mod qs_dftb_matrices.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod rt_propagation_forces.mod qs_dftb_dispersion.mod cp_output_handling.mod base_hooks.mod cp_dbcsr_output.mod qs_environment_methods.mod qs_energy.mod qs_external_potential.mod rpa_hfx.mod qs_ks_methods.mod qs_scf_post_scf.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmm_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmm_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_energy_types.mod cp_result_types.mod qmmm_types_low.mod fist_environment_types.mod cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod fist_energy_types.mod input_section_types.mod qs_force.mod qmmm_gpw_forces.mod qmmm_gpw_energy.mod cp_result_methods.mod fist_force.mod cp_log_handling.mod qmmm_util.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod qmmm_links_methods.mod qs_ks_qmmm_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmm_force.F qmmm_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmm_force.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmm_force.mod' due to: qmmm_force.o /build/reproducible-path/cp2k-2023.1/src/qmmm_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod qs_energy_types.mod cp_result_types.mod qmmm_types_low.mod fist_environment_types.mod cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod fist_energy_types.mod input_section_types.mod qs_force.mod qmmm_gpw_forces.mod qmmm_gpw_energy.mod cp_result_methods.mod fist_force.mod cp_log_handling.mod qmmm_util.mod kinds.mod physcon.mod cp_output_handling.mod base_hooks.mod qmmm_links_methods.mod qs_ks_qmmm_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_types.mod fist_environment_types.mod qs_environment_types.mod cell_types.mod input_section_types.mod particle_types.mod qmmmx_types.mod cp_subsys_types.mod qmmm_types_low.mod qmmm_force.mod input_constants.mod kinds.mod base_hooks.mod qmmm_util.mod qmmmx_util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F qmmmx_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:05 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_force.F90 -/build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F:134:70: - - 134 | mom_conserv_n = COUNT(cur_labels >= mom_conserv_min_label) - | ^ -Warning: 'mom_conserv_min_label' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F:70:85: - - 70 | INTEGER :: ip, mom_conserv_min_label, & - | ^ -note: 'mom_conserv_min_label' was declared here /build/reproducible-path/cp2k-2023.1/src/negf_methods.F:2800:84: 2800 | INTEGER :: handle, icontact, ipoint, ispin, & | ^ Warning: 'ipoint' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_force.mod' due to: qmmmx_force.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qmmm_types.mod fist_environment_types.mod qs_environment_types.mod cell_types.mod input_section_types.mod particle_types.mod qmmmx_types.mod cp_subsys_types.mod qmmm_types_low.mod qmmm_force.mod input_constants.mod kinds.mod base_hooks.mod qmmm_util.mod qmmmx_util.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod virial_types.mod embed_types.mod qs_rho_types.mod cp_result_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod metadynamics_types.mod qmmm_types.mod mixed_energy_types.mod mixed_environment_types.mod cp_fm_types.mod pw_env_types.mod qmmmx_types.mod pwdft_environment_types.mod cp_subsys_types.mod qs_environment_types.mod eip_environment_types.mod fist_environment_types.mod molecule_kind_list_types.mod cp_iter_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod molecule_kind_types.mod particle_list_types.mod nnp_environment_types.mod cell_types.mod pw_types.mod external_potential_methods.mod bibliography.mod cp_log_handling.mod force_fields_util.mod physcon.mod qs_force.mod qmmmx_force.mod cp_output_handling.mod fparser.mod pw_methods.mod machine.mod mathlib.mod string_utilities.mod optimize_embedding_potential.mod pwdft_environment.mod scine_utils.mod fp_methods.mod input_constants.mod optimize_dmfet_potential.mod kinds.mod fist_force.mod qmmm_util.mod cp_result_methods.mod eip_silicon.mod mixed_cdft_methods.mod constraint_fxd.mod qmmm_force.mod constraint_vsite.mod cp_fm_basic_linalg.mod cp_para_env.mod message_passing.mod kahan_sum.mod nnp_force.mod virial_methods.mod base_hooks.mod mixed_environment_utils.mod grrm_utils.mod force_env_utils.mod restraint.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_env_methods.F force_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:07 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_env_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'qmmmx_force.o' due to: /build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qmmmx_types.mod qmmm_types_low.mod input_section_types.mod fist_environment_types.mod base_hooks.mod qmmmx_util.mod qmmm_util.mod kinds.mod input_constants.mod qmmm_force.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F qmmmx_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:44 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' qmmmx_force.F90 /build/reproducible-path/cp2k-2023.1/src/negf_methods.F:781:89: 781 | (v_shift_max - v_shift_min)/(nelectrons_max - nelectrons_min) @@ -63486,12 +63507,27 @@ 672 | REAL(kind=dp) :: mu_base, nelectrons_guess, nelectrons_max, nelectrons_min, nelectrons_ref, & | ^ note: 'nelectrons_max' was declared here +/build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F:134:70: + + 134 | mom_conserv_n = COUNT(cur_labels >= mom_conserv_min_label) + | ^ +Warning: 'mom_conserv_min_label' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F:70:85: + + 70 | INTEGER :: ip, mom_conserv_min_label, & + | ^ +note: 'mom_conserv_min_label' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'qmmmx_force.mod' due to: qmmmx_force.o /build/reproducible-path/cp2k-2023.1/src/qmmmx_force.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod particle_types.mod cell_types.mod qs_environment_types.mod qmmmx_types.mod qmmm_types_low.mod input_section_types.mod fist_environment_types.mod base_hooks.mod qmmmx_util.mod qmmm_util.mod kinds.mod input_constants.mod qmmm_force.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'force_env_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/force_env_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod pw_env_types.mod qs_environment_types.mod cp_iter_types.mod cp_control_types.mod qs_energy_types.mod qmmmx_types.mod nnp_environment_types.mod pw_types.mod virial_types.mod input_section_types.mod cp_result_types.mod molecule_kind_types.mod eip_environment_types.mod global_types.mod metadynamics_types.mod mixed_environment_types.mod cp_para_types.mod fist_environment_types.mod cp_subsys_types.mod pw_pool_types.mod pwdft_environment_types.mod qmmm_types.mod cell_types.mod mixed_energy_types.mod particle_list_types.mod embed_types.mod qs_rho_types.mod atprop_types.mod cp_fm_types.mod constraint_fxd.mod mixed_environment_utils.mod grrm_utils.mod qs_force.mod force_fields_util.mod virial_methods.mod eip_silicon.mod constraint_vsite.mod bibliography.mod external_potential_methods.mod cp_result_methods.mod pwdft_environment.mod string_utilities.mod fp_methods.mod scine_utils.mod optimize_embedding_potential.mod mixed_cdft_methods.mod pw_methods.mod mathlib.mod qmmm_force.mod force_env_utils.mod qmmmx_force.mod message_passing.mod fist_force.mod restraint.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod optimize_dmfet_potential.mod qmmm_util.mod kinds.mod fparser.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_para_env.mod nnp_force.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/force_env_methods.F force_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:45 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' force_env_methods.F90 /build/reproducible-path/cp2k-2023.1/src/negf_methods.F:2957:84: 2957 | INTEGER :: handle, icontact, ipoint, ispin, & | ^ Warning: 'ipoint' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_methods.mod' due to: negf_methods.o /build/reproducible-path/cp2k-2023.1/src/negf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod global_types.mod qs_rho_types.mod cp_control_types.mod cp_para_types.mod negf_env_types.mod cp_fm_types.mod negf_control_types.mod cp_subsys_types.mod qs_environment_types.mod qs_subsys_types.mod qs_density_mixing_types.mod input_section_types.mod force_env_types.mod kpoint_types.mod negf_subgroup_types.mod negf_green_cache.mod bibliography.mod qs_gspace_mixing.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod negf_integr_simpson.mod cp_fm_struct.mod negf_matrix_utils.mod cp_dbcsr_operations.mod qs_mixing_utils.mod string_utilities.mod negf_green_methods.mod negf_integr_cc.mod input_constants.mod kinds.mod qs_rho_methods.mod qs_scf_methods.mod mathconstants.mod cp_blacs_env.mod cp_fm_basic_linalg.mod qs_ks_methods.mod message_passing.mod parallel_gemm_api.mod cp_cfm_basic_linalg.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'negf_methods.mod' due to: negf_methods.o /build/reproducible-path/cp2k-2023.1/src/negf_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_cfm_types.mod force_env_types.mod qs_subsys_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod qs_density_mixing_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod kpoint_types.mod negf_subgroup_types.mod qs_rho_types.mod negf_control_types.mod negf_env_types.mod input_section_types.mod parallel_gemm_api.mod qs_rho_methods.mod negf_integr_simpson.mod cp_dbcsr_operations.mod bibliography.mod string_utilities.mod qs_scf_methods.mod cp_cfm_basic_linalg.mod mathconstants.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod negf_matrix_utils.mod cp_output_handling.mod negf_green_cache.mod base_hooks.mod negf_integr_cc.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod qs_mixing_utils.mod qs_ks_methods.mod negf_green_methods.mod qs_gspace_mixing.mod true /build/reproducible-path/cp2k-2023.1/src/force_env_methods.F:556:101: @@ -63549,65 +63585,58 @@ 887 | dx, energy, err, lambda, lerr, & | ^ note: 'lerr' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_env_methods.mod' due to: force_env_methods.o /build/reproducible-path/cp2k-2023.1/src/force_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod virial_types.mod embed_types.mod qs_rho_types.mod cp_result_types.mod atprop_types.mod cp_control_types.mod cp_para_types.mod metadynamics_types.mod qmmm_types.mod mixed_energy_types.mod mixed_environment_types.mod cp_fm_types.mod pw_env_types.mod qmmmx_types.mod pwdft_environment_types.mod cp_subsys_types.mod qs_environment_types.mod eip_environment_types.mod fist_environment_types.mod molecule_kind_list_types.mod cp_iter_types.mod input_section_types.mod force_env_types.mod pw_pool_types.mod molecule_kind_types.mod particle_list_types.mod nnp_environment_types.mod cell_types.mod pw_types.mod external_potential_methods.mod bibliography.mod cp_log_handling.mod force_fields_util.mod physcon.mod qs_force.mod qmmmx_force.mod cp_output_handling.mod fparser.mod pw_methods.mod machine.mod mathlib.mod string_utilities.mod optimize_embedding_potential.mod pwdft_environment.mod scine_utils.mod fp_methods.mod input_constants.mod optimize_dmfet_potential.mod kinds.mod fist_force.mod qmmm_util.mod cp_result_methods.mod eip_silicon.mod mixed_cdft_methods.mod constraint_fxd.mod qmmm_force.mod constraint_vsite.mod cp_fm_basic_linalg.mod cp_para_env.mod message_passing.mod kahan_sum.mod nnp_force.mod virial_methods.mod base_hooks.mod mixed_environment_utils.mod grrm_utils.mod force_env_utils.mod restraint.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'force_env_methods.mod' due to: force_env_methods.o /build/reproducible-path/cp2k-2023.1/src/force_env_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod pw_env_types.mod qs_environment_types.mod cp_iter_types.mod cp_control_types.mod qs_energy_types.mod qmmmx_types.mod nnp_environment_types.mod pw_types.mod virial_types.mod input_section_types.mod cp_result_types.mod molecule_kind_types.mod eip_environment_types.mod global_types.mod metadynamics_types.mod mixed_environment_types.mod cp_para_types.mod fist_environment_types.mod cp_subsys_types.mod pw_pool_types.mod pwdft_environment_types.mod qmmm_types.mod cell_types.mod mixed_energy_types.mod particle_list_types.mod embed_types.mod qs_rho_types.mod atprop_types.mod cp_fm_types.mod constraint_fxd.mod mixed_environment_utils.mod grrm_utils.mod qs_force.mod force_fields_util.mod virial_methods.mod eip_silicon.mod constraint_vsite.mod bibliography.mod external_potential_methods.mod cp_result_methods.mod pwdft_environment.mod string_utilities.mod fp_methods.mod scine_utils.mod optimize_embedding_potential.mod mixed_cdft_methods.mod pw_methods.mod mathlib.mod qmmm_force.mod force_env_utils.mod qmmmx_force.mod message_passing.mod fist_force.mod restraint.mod cp_fm_basic_linalg.mod cp_log_handling.mod kahan_sum.mod optimize_dmfet_potential.mod qmmm_util.mod kinds.mod fparser.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod cp_para_env.mod nnp_force.mod machine.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_environment_types.mod global_types.mod input_section_types.mod force_env_types.mod cp_subsys_types.mod qmmm_types_low.mod cp_para_types.mod fist_environment.mod force_env_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'fist_main.o' due to: /build/reproducible-path/cp2k-2023.1/src/fist_main.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod input_section_types.mod qmmm_types_low.mod global_types.mod cp_para_types.mod fist_environment_types.mod base_hooks.mod fist_environment.mod force_env_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/fist_main.F fist_main.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ipi_driver.o' due to: /build/reproducible-path/cp2k-2023.1/src/ipi_driver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod virial_types.mod cell_types.mod input_section_types.mod force_env_types.mod cp_subsys_types.mod cp_para_types.mod message_passing.mod bibliography.mod cp_log_handling.mod force_env_methods.mod kinds.mod base_hooks.mod cp_external_control.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'ipi_driver.o' due to: /build/reproducible-path/cp2k-2023.1/src/ipi_driver.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod input_section_types.mod cell_types.mod global_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod cp_external_control.mod bibliography.mod force_env_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/ipi_driver.F ipi_driver.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp2k_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod force_env_methods.mod input_constants.mod kinds.mod cp_result_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k_debug.o' due to: /build/reproducible-path/cp2k-2023.1/src/cp2k_debug.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod virial_types.mod cp_result_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_result_methods.mod force_env_methods.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod particle_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/cp2k_debug.F cp2k_debug.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_coordinates.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod molecule_types.mod parallel_rng_types.mod force_env_types.mod cp_subsys_types.mod mc_types.mod particle_list_types.mod message_passing.mod mathconstants.mod force_env_methods.mod physcon.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ipi_driver.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_coordinates.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod molecule_types.mod cell_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod base_hooks.mod message_passing.mod mathconstants.mod kinds.mod physcon.mod force_env_methods.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_coordinates.F mc_coordinates.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' fist_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' ipi_driver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_coordinates.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_coordinates.F90 /build/reproducible-path/cp2k-2023.1/src/ipi_driver.F:210:26: 210 | SUBROUTINE readbuffer_d(psockfd, fdata) | ^ Warning: 'readbuffer_d' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_main.mod' due to: fist_main.o /build/reproducible-path/cp2k-2023.1/src/fist_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 fist_environment_types.mod global_types.mod input_section_types.mod force_env_types.mod cp_subsys_types.mod qmmm_types_low.mod cp_para_types.mod fist_environment.mod force_env_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'fist_main.mod' due to: fist_main.o /build/reproducible-path/cp2k-2023.1/src/fist_main.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod input_section_types.mod qmmm_types_low.mod global_types.mod cp_para_types.mod fist_environment_types.mod base_hooks.mod fist_environment.mod force_env_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'f77_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/f77_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod virial_types.mod embed_types.mod fp_types.mod cp_result_types.mod cp_para_types.mod metadynamics_types.mod qmmm_types.mod input_enumeration_types.mod mixed_environment_types.mod qmmmx_types.mod pwdft_environment_types.mod cp_subsys_types.mod qs_environment_types.mod eip_environment_types.mod input_section_types.mod force_env_types.mod timings_types.mod nnp_environment_types.mod input_keyword_types.mod cell_types.mod bibliography.mod dbm_api.mod cp_log_handling.mod cp_output_handling.mod environment.mod qmmm_create.mod cp_error_handling.mod input_cp2k_check.mod cp_files.mod machine.mod mixed_main.mod pwdft_environment.mod timings.mod periodic_table.mod input_cp2k_read.mod qs_environment.mod force_env_methods.mod input_constants.mod metadynamics_utils.mod kinds.mod pw_gpu.mod cp_result_methods.mod input_cp2k_force_eval.mod offload_api.mod nnp_environment.mod embed_main.mod cp_para_env.mod grid_api.mod message_passing.mod string_table.mod eip_environment.mod qmmmx_create.mod reference_manager.mod fist_main.mod base_hooks.mod cp2k_info.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'f77_interface.o' due to: /build/reproducible-path/cp2k-2023.1/src/f77_interface.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_environment_types.mod timings_types.mod fp_types.mod qmmmx_types.mod nnp_environment_types.mod virial_types.mod cp_result_types.mod eip_environment_types.mod global_types.mod metadynamics_types.mod mixed_environment_types.mod cp_para_types.mod pwdft_environment_types.mod cp_subsys_types.mod qmmm_types.mod input_keyword_types.mod cell_types.mod input_enumeration_types.mod embed_types.mod input_section_types.mod reference_manager.mod dbm_api.mod eip_environment.mod embed_main.mod qs_environment.mod environment.mod bibliography.mod cp_files.mod cp_result_methods.mod pwdft_environment.mod qmmmx_create.mod fist_main.mod mixed_main.mod force_env_methods.mod grid_api.mod metadynamics_utils.mod input_cp2k_read.mod message_passing.mod cp_log_handling.mod offload_api.mod kinds.mod input_constants.mod input_cp2k_check.mod nnp_environment.mod cp_output_handling.mod base_hooks.mod cp2k_info.mod pw_gpu.mod qmmm_create.mod periodic_table.mod string_table.mod timings.mod cp_para_env.mod input_cp2k_force_eval.mod machine.mod cp_error_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/f77_interface.F f77_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:15 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' f77_interface.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ipi_driver.mod' due to: ipi_driver.o /build/reproducible-path/cp2k-2023.1/src/ipi_driver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod virial_types.mod cell_types.mod input_section_types.mod force_env_types.mod cp_subsys_types.mod cp_para_types.mod message_passing.mod bibliography.mod cp_log_handling.mod force_env_methods.mod kinds.mod base_hooks.mod cp_external_control.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:53 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' f77_interface.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'ipi_driver.mod' due to: ipi_driver.o /build/reproducible-path/cp2k-2023.1/src/ipi_driver.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod input_section_types.mod cell_types.mod global_types.mod cp_para_types.mod virial_types.mod base_hooks.mod message_passing.mod cp_log_handling.mod kinds.mod cp_external_control.mod bibliography.mod force_env_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp2k_debug.mod' due to: cp2k_debug.o /build/reproducible-path/cp2k-2023.1/src/cp2k_debug.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_result_types.mod cp_control_types.mod cp_para_types.mod cp_subsys_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod qs_kind_types.mod cell_types.mod particle_types.mod cp_log_handling.mod cp_output_handling.mod particle_methods.mod force_env_methods.mod input_constants.mod kinds.mod cp_result_methods.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp2k_debug.mod' due to: cp2k_debug.o /build/reproducible-path/cp2k-2023.1/src/cp2k_debug.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_environment_types.mod cp_control_types.mod qs_kind_types.mod virial_types.mod cp_result_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod input_section_types.mod cp_result_methods.mod force_env_methods.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod particle_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_coordinates.mod' due to: mc_coordinates.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod molecule_types.mod parallel_rng_types.mod force_env_types.mod cp_subsys_types.mod mc_types.mod particle_list_types.mod message_passing.mod mathconstants.mod force_env_methods.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_coordinates.mod' due to: mc_coordinates.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_coordinates.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod molecule_types.mod cell_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod base_hooks.mod message_passing.mod mathconstants.mod kinds.mod physcon.mod force_env_methods.mod true /build/reproducible-path/cp2k-2023.1/src/f77_interface.F:1212:21: 1212 | SUBROUTINE get_vel(env_id, vel, n_el, ierr) | ^ Warning: 'get_vel' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'f77_interface.mod' due to: f77_interface.o /build/reproducible-path/cp2k-2023.1/src/f77_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod virial_types.mod embed_types.mod fp_types.mod cp_result_types.mod cp_para_types.mod metadynamics_types.mod qmmm_types.mod input_enumeration_types.mod mixed_environment_types.mod qmmmx_types.mod pwdft_environment_types.mod cp_subsys_types.mod qs_environment_types.mod eip_environment_types.mod input_section_types.mod force_env_types.mod timings_types.mod nnp_environment_types.mod input_keyword_types.mod cell_types.mod bibliography.mod dbm_api.mod cp_log_handling.mod cp_output_handling.mod environment.mod qmmm_create.mod cp_error_handling.mod input_cp2k_check.mod cp_files.mod machine.mod mixed_main.mod pwdft_environment.mod timings.mod periodic_table.mod input_cp2k_read.mod qs_environment.mod force_env_methods.mod input_constants.mod metadynamics_utils.mod kinds.mod pw_gpu.mod cp_result_methods.mod input_cp2k_force_eval.mod offload_api.mod nnp_environment.mod embed_main.mod cp_para_env.mod grid_api.mod message_passing.mod string_table.mod eip_environment.mod qmmmx_create.mod reference_manager.mod fist_main.mod base_hooks.mod cp2k_info.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'f77_interface.mod' due to: f77_interface.o /build/reproducible-path/cp2k-2023.1/src/f77_interface.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_environment_types.mod timings_types.mod fp_types.mod qmmmx_types.mod nnp_environment_types.mod virial_types.mod cp_result_types.mod eip_environment_types.mod global_types.mod metadynamics_types.mod mixed_environment_types.mod cp_para_types.mod pwdft_environment_types.mod cp_subsys_types.mod qmmm_types.mod input_keyword_types.mod cell_types.mod input_enumeration_types.mod embed_types.mod input_section_types.mod reference_manager.mod dbm_api.mod eip_environment.mod embed_main.mod qs_environment.mod environment.mod bibliography.mod cp_files.mod cp_result_methods.mod pwdft_environment.mod qmmmx_create.mod fist_main.mod mixed_main.mod force_env_methods.mod grid_api.mod metadynamics_utils.mod input_cp2k_read.mod message_passing.mod cp_log_handling.mod offload_api.mod kinds.mod input_constants.mod input_cp2k_check.mod nnp_environment.mod cp_output_handling.mod base_hooks.mod cp2k_info.mod pw_gpu.mod qmmm_create.mod periodic_table.mod string_table.mod timings.mod cp_para_env.mod input_cp2k_force_eval.mod machine.mod cp_error_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'replica_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/replica_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_wf_history_types.mod cp_result_types.mod cp_para_types.mod message_passing.mod f77_interface.mod cp_para_env.mod cp_log_handling.mod cp_result_methods.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'replica_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/replica_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod qs_wf_history_types.mod cp_para_types.mod cp_result_methods.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod f77_interface.mod kinds.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/replica_types.F replica_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod parallel_rng_types.mod cp_para_types.mod input_section_types.mod cell_types.mod cp_log_handling.mod physcon.mod environment.mod cp_output_handling.mod cp_external_control.mod machine.mod cp_parser_methods.mod input_constants.mod kinds.mod memory_utilities.mod f77_interface.mod powell.mod message_passing.mod base_hooks.mod cp2k_info.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_input.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_input.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod cell_types.mod parallel_rng_types.mod input_section_types.mod environment.mod cp_external_control.mod memory_utilities.mod cp_parser_methods.mod powell.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp2k_info.mod cp_output_handling.mod base_hooks.mod machine.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_input.F optimize_input.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod optimize_basis_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod force_env_types.mod qs_kind_types.mod optimize_basis_utils.mod cp_log_handling.mod qs_neighbor_lists.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_overlap.mod input_cp2k_read.mod kinds.mod optbas_opt_utils.mod cp_blacs_env.mod cp_para_env.mod f77_interface.mod powell.mod message_passing.mod optbas_fenv_manipulation.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' replica_types.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'optimize_basis.o' due to: /build/reproducible-path/cp2k-2023.1/src/optimize_basis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod optimize_basis_types.mod input_section_types.mod cp_dbcsr_operations.mod qs_overlap.mod optimize_basis_utils.mod powell.mod input_cp2k_read.mod message_passing.mod optbas_fenv_manipulation.mod cp_log_handling.mod kinds.mod qs_neighbor_lists.mod f77_interface.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod machine.mod cp_blacs_env.mod optbas_opt_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/optimize_basis.F optimize_basis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod mc_types.mod cp_para_types.mod atomic_kind_types.mod cp_subsys_types.mod molecule_kind_list_types.mod input_section_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod physcon.mod cp_files.mod kinds.mod f77_interface.mod message_passing.mod base_hooks.mod mc_misc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_control.F mc_control.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_calculations.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod parallel_rng_types.mod tmc_types.mod tmc_move_types.mod mathconstants.mod cp_log_handling.mod tmc_stati.mod physcon.mod kinds.mod base_hooks.mod f77_interface.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_calculations.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_move_types.mod parallel_rng_types.mod tmc_types.mod base_hooks.mod cp_log_handling.mod tmc_stati.mod mathconstants.mod kinds.mod physcon.mod f77_interface.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_calculations.F tmc_calculations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' replica_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:19 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_calculations.F90 -/build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_control.F:291:54: - - 291 | atom_symbols(iunit) = atom_names(iunit, 1) - | 1 -Warning: CHARACTER expression will be truncated in assignment (5/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'replica_types.mod' due to: replica_types.o /build/reproducible-path/cp2k-2023.1/src/replica_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_wf_history_types.mod cp_result_types.mod cp_para_types.mod message_passing.mod f77_interface.mod cp_para_env.mod cp_log_handling.mod cp_result_methods.mod kinds.mod base_hooks.mod cp_output_handling.mod -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:56 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' optimize_basis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod cp_files.mod mc_misc.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod f77_interface.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_control.F mc_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_calculations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:57 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_control.F90 /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_calculations.F:134:31: 134 | conf%potential = e_pot @@ -63628,41 +63657,58 @@ 74 | REAL(KIND=dp) :: e_pot, rnd | ^ note: 'e_pot' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'replica_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/replica_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_wf_history_types.mod replica_types.mod cp_subsys_types.mod cp_para_types.mod input_section_types.mod cp_result_types.mod force_env_types.mod qs_environment_types.mod cp_control_types.mod message_passing.mod f77_interface.mod cp_para_env.mod cp_log_handling.mod qs_wf_history_methods.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/replica_methods.F replica_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod gle_system_types.mod simpar_types.mod replica_types.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_types.F pint_types.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_calculations.mod' due to: tmc_calculations.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod parallel_rng_types.mod tmc_types.mod tmc_move_types.mod mathconstants.mod cp_log_handling.mod tmc_stati.mod physcon.mod kinds.mod base_hooks.mod f77_interface.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_calculations.mod' due to: tmc_calculations.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_calculations.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_move_types.mod parallel_rng_types.mod tmc_types.mod base_hooks.mod cp_log_handling.mod tmc_stati.mod mathconstants.mod kinds.mod physcon.mod f77_interface.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_file_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_analysis_types.mod tmc_types.mod tmc_move_types.mod tmc_calculations.mod cp_log_handling.mod tmc_stati.mod physcon.mod kinds.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_file_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod tmc_analysis_types.mod tmc_types.mod base_hooks.mod tmc_calculations.mod cp_log_handling.mod physcon.mod tmc_stati.mod kinds.mod cp_files.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_file_io.F tmc_file_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_moves.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod parallel_rng_types.mod tmc_types.mod tmc_move_types.mod mathlib.mod tmc_calculations.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_control.F:291:54: + + 291 | atom_symbols(iunit) = atom_names(iunit, 1) + | 1 +Warning: CHARACTER expression will be truncated in assignment (5/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_moves.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_move_types.mod parallel_rng_types.mod tmc_types.mod base_hooks.mod tmc_calculations.mod cp_log_handling.mod mathconstants.mod kinds.mod physcon.mod mathlib.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_moves.F tmc_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' replica_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_file_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_moves.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_types.mod' due to: pint_types.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod gle_system_types.mod simpar_types.mod replica_types.mod cp_log_handling.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_file_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_moves.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'replica_types.mod' due to: replica_types.o /build/reproducible-path/cp2k-2023.1/src/replica_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_result_types.mod qs_wf_history_types.mod cp_para_types.mod cp_result_methods.mod base_hooks.mod message_passing.mod cp_para_env.mod cp_log_handling.mod f77_interface.mod kinds.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_control.mod' due to: mc_control.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod cp_files.mod mc_misc.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod f77_interface.mod base_hooks.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'replica_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/replica_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod cp_result_types.mod qs_environment_types.mod replica_types.mod qs_wf_history_types.mod cp_para_types.mod cp_control_types.mod input_section_types.mod base_hooks.mod message_passing.mod qs_wf_history_methods.mod cp_para_env.mod cp_log_handling.mod f77_interface.mod kinds.mod cp_files.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/replica_methods.F replica_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_types.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_types.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 gle_system_types.mod replica_types.mod simpar_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_types.F pint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' replica_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_ge_moves.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod mc_move_control.mod force_env_methods.mod mc_misc.mod message_passing.mod kinds.mod input_constants.mod physcon.mod mc_control.mod base_hooks.mod particle_methods.mod mc_coordinates.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_ge_moves.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_basis.mod' due to: optimize_basis.o /build/reproducible-path/cp2k-2023.1/src/optimize_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_fm_types.mod qs_kind_types.mod qs_mo_types.mod cp_para_types.mod optimize_basis_types.mod input_section_types.mod cp_dbcsr_operations.mod qs_overlap.mod optimize_basis_utils.mod powell.mod input_cp2k_read.mod message_passing.mod optbas_fenv_manipulation.mod cp_log_handling.mod kinds.mod qs_neighbor_lists.mod f77_interface.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod machine.mod cp_blacs_env.mod optbas_opt_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_normalmode.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_file_io.mod' due to: tmc_file_io.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod tmc_analysis_types.mod tmc_types.mod base_hooks.mod tmc_calculations.mod cp_log_handling.mod physcon.mod tmc_stati.mod kinds.mod cp_files.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_dot_tree.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod tmc_types.mod base_hooks.mod cp_log_handling.mod tmc_file_io.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_types.mod' due to: pint_types.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_types.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 gle_system_types.mod replica_types.mod simpar_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_normalmode.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod input_constants.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_normalmode.F pint_normalmode.F90 /build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_staging.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_staging.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_staging.F pint_staging.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_normalmode.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_public.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_public.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod base_hooks.mod kinds.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_dot_tree.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_public.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_public.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod pint_types.mod base_hooks.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_public.F pint_public.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_staging.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_pile.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod parallel_rng_types.mod input_constants.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_normalmode.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_pile.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_pile.F pint_pile.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_public.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_gle.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod gle_system_types.mod gle_system_dynamics.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_staging.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_gle.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod gle_system_types.mod base_hooks.mod gle_system_dynamics.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_gle.F pint_gle.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_pile.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_control.mod' due to: mc_control.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod mc_types.mod cp_para_types.mod atomic_kind_types.mod cp_subsys_types.mod molecule_kind_list_types.mod input_section_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod physcon.mod cp_files.mod kinds.mod f77_interface.mod message_passing.mod base_hooks.mod mc_misc.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_public.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_input.mod' due to: optimize_input.o /build/reproducible-path/cp2k-2023.1/src/optimize_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod cell_types.mod parallel_rng_types.mod input_section_types.mod environment.mod cp_external_control.mod memory_utilities.mod cp_parser_methods.mod powell.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp2k_info.mod cp_output_handling.mod base_hooks.mod machine.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:20 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_gle.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_ge_moves.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod mc_types.mod cp_para_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod mc_move_control.mod physcon.mod particle_methods.mod mc_coordinates.mod mc_control.mod force_env_methods.mod input_constants.mod kinds.mod message_passing.mod base_hooks.mod mc_misc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_pile.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:43:59 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_gle.F90 /build/reproducible-path/cp2k-2023.1/src/motion/pint_public.F:77:3: 77 | PURE FUNCTION pint_cog_pos(pint_env) RESULT(cntrd_r) @@ -63673,32 +63719,32 @@ 110 | SUBROUTINE pint_free_part_bead_x(n, t, rng_gaussian, x, nout) | ^ Warning: 'pint_free_part_bead_x' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_public.mod' due to: pint_public.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_public.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod base_hooks.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_public.mod' due to: pint_public.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_public.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod pint_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_common.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_common.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod helium_types.mod pint_types.mod mathconstants.mod splines_methods.mod input_constants.mod physcon.mod pint_public.mod memory_utilities.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_common.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_common.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod splines_types.mod helium_types.mod base_hooks.mod mathconstants.mod pint_public.mod kinds.mod splines_methods.mod input_constants.mod physcon.mod memory_utilities.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_common.F helium_common.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_ge_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_common.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_file_io.mod' due to: tmc_file_io.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_file_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_analysis_types.mod tmc_types.mod tmc_move_types.mod tmc_calculations.mod cp_log_handling.mod tmc_stati.mod physcon.mod kinds.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_pile.mod' due to: pint_pile.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod input_section_types.mod base_hooks.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_dot_tree.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_file_io.mod cp_log_handling.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_normalmode.mod' due to: pint_normalmode.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod mathconstants.mod input_constants.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_common.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_dot_tree.mod' due to: tmc_dot_tree.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod tmc_types.mod base_hooks.mod cp_log_handling.mod tmc_file_io.mod cp_files.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_cancelation.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod base_hooks.mod tmc_dot_tree.mod cp_log_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_cancelation.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_gle.mod' due to: pint_gle.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod gle_system_types.mod base_hooks.mod gle_system_dynamics.mod kinds.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_dot_tree.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_basis.mod' due to: optimize_basis.o /build/reproducible-path/cp2k-2023.1/src/optimize_basis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_mo_types.mod optimize_basis_types.mod cp_para_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod qs_neighbor_list_types.mod input_section_types.mod force_env_types.mod qs_kind_types.mod optimize_basis_utils.mod cp_log_handling.mod qs_neighbor_lists.mod machine.mod cp_fm_struct.mod cp_dbcsr_operations.mod qs_overlap.mod input_cp2k_read.mod kinds.mod optbas_opt_utils.mod cp_blacs_env.mod cp_para_env.mod f77_interface.mod powell.mod message_passing.mod optbas_fenv_manipulation.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_normalmode.mod' due to: pint_normalmode.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_normalmode.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod base_hooks.mod mathconstants.mod kinds.mod input_constants.mod true /build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_staging.mod' due to: pint_staging.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_staging.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod base_hooks.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_pile.mod' due to: pint_pile.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_pile.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod parallel_rng_types.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_transformations.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_constants.mod pint_normalmode.mod pint_staging.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_transformations.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod base_hooks.mod pint_normalmode.mod pint_staging.mod kinds.mod input_constants.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_transformations.F pint_transformations.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'optimize_input.mod' due to: optimize_input.o /build/reproducible-path/cp2k-2023.1/src/optimize_input.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod parallel_rng_types.mod cp_para_types.mod input_section_types.mod cell_types.mod cp_log_handling.mod physcon.mod environment.mod cp_output_handling.mod cp_external_control.mod machine.mod cp_parser_methods.mod input_constants.mod kinds.mod memory_utilities.mod f77_interface.mod powell.mod message_passing.mod base_hooks.mod cp2k_info.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_transformations.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_gle.mod' due to: pint_gle.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_gle.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod gle_system_types.mod gle_system_dynamics.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_transformations.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'replica_methods.mod' due to: replica_methods.o /build/reproducible-path/cp2k-2023.1/src/replica_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod cp_result_types.mod qs_environment_types.mod replica_types.mod qs_wf_history_types.mod cp_para_types.mod cp_control_types.mod input_section_types.mod base_hooks.mod message_passing.mod qs_wf_history_methods.mod cp_para_env.mod cp_log_handling.mod f77_interface.mod kinds.mod cp_files.mod cp_output_handling.mod true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mode_selective.o' due to: /build/reproducible-path/cp2k-2023.1/src/mode_selective.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod replica_types.mod global_types.mod cp_para_types.mod input_section_types.mod cp_result_methods.mod util.mod replica_methods.mod base_hooks.mod molden_utils.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod mathlib.mod cp_files.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mode_selective.F mode_selective.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:00 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mode_selective.F90 /build/reproducible-path/cp2k-2023.1/src/motion/helium_common.F:1454:3: 1454 | PURE FUNCTION helium_bead_rij(helium, ia, ib, ja, jb) RESULT(rij) @@ -63749,11 +63795,13 @@ 2446 | PURE FUNCTION helium_rperpendicular(helium, ia, ib) RESULT(rperp) | ^ Warning: 'helium_rperpendicular' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'replica_methods.mod' due to: replica_methods.o /build/reproducible-path/cp2k-2023.1/src/replica_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_wf_history_types.mod replica_types.mod cp_subsys_types.mod cp_para_types.mod input_section_types.mod cp_result_types.mod force_env_types.mod qs_environment_types.mod cp_control_types.mod message_passing.mod f77_interface.mod cp_para_env.mod cp_log_handling.mod qs_wf_history_methods.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_cancelation.mod' due to: tmc_cancelation.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod base_hooks.mod tmc_dot_tree.mod cp_log_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_references.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod base_hooks.mod cp_log_handling.mod tmc_cancelation.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_references.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_moves.mod' due to: tmc_moves.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_move_types.mod parallel_rng_types.mod tmc_types.mod base_hooks.mod tmc_calculations.mod cp_log_handling.mod mathconstants.mod kinds.mod physcon.mod mathlib.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mode_selective.o' due to: /build/reproducible-path/cp2k-2023.1/src/mode_selective.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod replica_types.mod cp_para_types.mod input_section_types.mod particle_types.mod replica_methods.mod cp_files.mod mathlib.mod message_passing.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod molden_utils.mod cp_output_handling.mod util.mod base_hooks.mod cp_result_methods.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/mode_selective.F mode_selective.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mode_selective.F90 /build/reproducible-path/cp2k-2023.1/src/motion/helium_common.F:350:31: 350 | DEALLOCATE (used_indices) @@ -63764,31 +63812,16 @@ 314 | INTEGER, DIMENSION(:), POINTER :: cur_cycle, used_indices | ^ note: 'used_indices' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_dot_tree.mod' due to: tmc_dot_tree.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_dot_tree.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_file_io.mod cp_log_handling.mod base_hooks.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_cancelation.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_dot_tree.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_cancelation.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_transformations.mod' due to: pint_transformations.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_constants.mod pint_normalmode.mod pint_staging.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_transformations.mod' due to: pint_transformations.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_transformations.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod base_hooks.mod pint_normalmode.mod pint_staging.mod kinds.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_restarts.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod gle_system_types.mod parallel_rng_types.mod csvr_system_types.mod cp_para_types.mod metadynamics_types.mod simpar_types.mod thermostat_types.mod cp_subsys_types.mod al_system_types.mod neb_types.mod averages_types.mod helium_types.mod molecule_kind_list_types.mod pint_types.mod md_environment_types.mod input_section_types.mod extended_system_types.mod force_env_types.mod particle_list_types.mod particle_types.mod input_val_types.mod atomic_kind_list_types.mod cp_linked_list_input.mod cp_log_handling.mod physcon.mod cp_output_handling.mod input_restart_rng.mod pint_transformations.mod string_utilities.mod input_constants.mod kinds.mod thermostat_utils.mod input_restart_force_eval.mod memory_utilities.mod message_passing.mod base_hooks.mod cp2k_info.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'input_cp2k_restarts.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod gle_system_types.mod molecule_list_types.mod extended_system_types.mod neb_types.mod simpar_types.mod md_environment_types.mod thermostat_types.mod atomic_kind_list_types.mod input_val_types.mod al_system_types.mod csvr_system_types.mod metadynamics_types.mod cp_para_types.mod helium_types.mod cp_subsys_types.mod pint_types.mod particle_types.mod particle_list_types.mod averages_types.mod parallel_rng_types.mod input_section_types.mod cp_linked_list_input.mod memory_utilities.mod string_utilities.mod message_passing.mod thermostat_utils.mod cp_log_handling.mod pint_transformations.mod input_restart_force_eval.mod kinds.mod input_constants.mod physcon.mod input_restart_rng.mod cp_output_handling.mod cp2k_info.mod base_hooks.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_list_types.mod pint_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod force_env_types.mod pint_transformations.mod cp_units.mod cp_log_handling.mod input_constants.mod kinds.mod pint_public.mod cp_output_handling.mod base_hooks.mod particle_methods.mod f77_interface.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod pint_types.mod cell_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod cp_units.mod particle_methods.mod cp_log_handling.mod pint_transformations.mod machine.mod pint_public.mod f77_interface.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_io.F pint_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:22 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_cancelation.mod' due to: tmc_cancelation.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_cancelation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_dot_tree.mod cp_log_handling.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_references.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_cancelation.mod cp_log_handling.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_references.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_moves.mod' due to: tmc_moves.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_moves.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod parallel_rng_types.mod tmc_types.mod tmc_move_types.mod mathlib.mod tmc_calculations.mod mathconstants.mod cp_log_handling.mod physcon.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_tree_references.mod' due to: tmc_tree_references.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_cancelation.mod cp_log_handling.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_tree_references.mod' due to: tmc_tree_references.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_references.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod base_hooks.mod cp_log_handling.mod tmc_cancelation.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_search.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_tree_references.mod cp_log_handling.mod kinds.mod base_hooks.mod tmc_stati.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_search.F tmc_tree_search.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_search.F90 /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ge_moves.F:547:65: 547 | moves(molecule_type, insert_box)%moves%swap%attempts + 1 @@ -63809,24 +63842,29 @@ 470 | TYPE(force_env_p_type), DIMENSION(:), POINTER :: test_env, test_env_bias | ^ note: 'test_env_bias.data' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_io.mod' due to: pint_io.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_list_types.mod pint_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod force_env_types.mod pint_transformations.mod cp_units.mod cp_log_handling.mod input_constants.mod kinds.mod pint_public.mod cp_output_handling.mod base_hooks.mod particle_methods.mod f77_interface.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_search.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod base_hooks.mod tmc_tree_references.mod cp_log_handling.mod tmc_stati.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_search.F tmc_tree_search.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_search.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_tree_search.mod' due to: tmc_tree_search.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod base_hooks.mod tmc_tree_references.mod cp_log_handling.mod tmc_stati.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_qtb.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod cp_para_types.mod input_section_types.mod parallel_rng_types.mod message_passing.mod fft_lib.mod cp_log_handling.mod mathconstants.mod input_constants.mod pint_io.mod fft_plan.mod kinds.mod cp_output_handling.mod fft_tools.mod base_hooks.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_build.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod tmc_types.mod base_hooks.mod tmc_tree_references.mod tmc_dot_tree.mod tmc_moves.mod tmc_calculations.mod cp_log_handling.mod tmc_move_handle.mod tmc_file_io.mod tmc_stati.mod kinds.mod tmc_tree_search.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_build.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_io.mod' due to: pint_io.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod pint_types.mod cell_types.mod particle_list_types.mod input_section_types.mod base_hooks.mod cp_units.mod particle_methods.mod cp_log_handling.mod pint_transformations.mod machine.mod pint_public.mod f77_interface.mod kinds.mod input_constants.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_qtb.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod cp_para_types.mod input_section_types.mod fft_lib.mod base_hooks.mod pint_io.mod message_passing.mod cp_log_handling.mod mathconstants.mod fft_plan.mod fft_tools.mod input_constants.mod kinds.mod cp_files.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_qtb.F pint_qtb.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_piglet.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod parallel_rng_types.mod cp_para_types.mod cp_files.mod message_passing.mod cp_units.mod gle_system_dynamics.mod input_constants.mod pint_io.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_piglet.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod pint_io.mod message_passing.mod cp_units.mod gle_system_dynamics.mod kinds.mod input_constants.mod cp_files.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_piglet.F pint_piglet.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_qtb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_piglet.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_tree_search.mod' due to: tmc_tree_search.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_search.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_tree_references.mod cp_log_handling.mod kinds.mod base_hooks.mod tmc_stati.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_build.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_file_io.mod tmc_calculations.mod tmc_tree_references.mod tmc_dot_tree.mod cp_log_handling.mod tmc_moves.mod tmc_tree_search.mod tmc_move_handle.mod kinds.mod base_hooks.mod tmc_stati.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_build.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_common.mod' due to: helium_common.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_common.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod helium_types.mod pint_types.mod mathconstants.mod splines_methods.mod input_constants.mod physcon.mod pint_public.mod memory_utilities.mod kinds.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_qtb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_piglet.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_common.mod' due to: helium_common.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_common.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod splines_types.mod helium_types.mod base_hooks.mod mathconstants.mod pint_public.mod kinds.mod splines_methods.mod input_constants.mod physcon.mod memory_utilities.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_interactions.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod helium_types.mod pint_types.mod helium_common.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_interactions.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod splines_types.mod helium_types.mod base_hooks.mod kinds.mod helium_common.mod input_constants.mod physcon.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_interactions.F helium_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_interactions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_interactions.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_ge_moves.mod' due to: mc_ge_moves.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod mc_move_control.mod force_env_methods.mod mc_misc.mod message_passing.mod kinds.mod input_constants.mod physcon.mod mc_control.mod base_hooks.mod particle_methods.mod mc_coordinates.mod +true /build/reproducible-path/cp2k-2023.1/src/mode_selective.F:330:43: 330 | ms_vib%inv_range(1) = my_val @@ -63837,24 +63875,17 @@ 278 | REAL(KIND=dp) :: my_val, norm | ^ note: 'my_val' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_interactions.mod' due to: helium_interactions.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 splines_types.mod helium_types.mod pint_types.mod helium_common.mod input_constants.mod physcon.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod helium_types.mod pint_types.mod input_section_types.mod cell_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod cp_units.mod cp_parser_methods.mod helium_interactions.mod input_constants.mod kinds.mod memory_utilities.mod helium_common.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_io.F helium_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_ge_moves.mod' due to: mc_ge_moves.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ge_moves.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod mc_types.mod cp_para_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod mc_move_control.mod physcon.mod particle_methods.mod mc_coordinates.mod mc_control.mod force_env_methods.mod input_constants.mod kinds.mod message_passing.mod base_hooks.mod mc_misc.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_tree_build.mod' due to: tmc_tree_build.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_file_io.mod tmc_calculations.mod tmc_tree_references.mod tmc_dot_tree.mod cp_log_handling.mod tmc_moves.mod tmc_tree_search.mod tmc_move_handle.mod kinds.mod base_hooks.mod tmc_stati.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_tree_build.mod' due to: tmc_tree_build.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_build.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod tmc_types.mod base_hooks.mod tmc_tree_references.mod tmc_dot_tree.mod tmc_moves.mod tmc_calculations.mod cp_log_handling.mod tmc_move_handle.mod tmc_file_io.mod tmc_stati.mod kinds.mod tmc_tree_search.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_analysis.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod input_section_types.mod tmc_analysis_types.mod tmc_types.mod force_fields_input.mod mathlib.mod tmc_file_io.mod tmc_calculations.mod mathconstants.mod cp_log_handling.mod tmc_stati.mod physcon.mod kinds.mod tmc_tree_build.mod base_hooks.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis.F tmc_analysis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_messages.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod tmc_stati.mod tmc_move_handle.mod kinds.mod tmc_tree_build.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_messages.F tmc_messages.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_acceptance.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_file_io.mod tmc_calculations.mod tmc_dot_tree.mod cp_log_handling.mod physcon.mod tmc_tree_search.mod tmc_move_handle.mod kinds.mod tmc_tree_build.mod base_hooks.mod tmc_stati.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_tree_acceptance.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod tmc_types.mod base_hooks.mod tmc_dot_tree.mod tmc_calculations.mod cp_log_handling.mod tmc_move_handle.mod tmc_file_io.mod tmc_stati.mod tmc_tree_build.mod kinds.mod physcon.mod tmc_tree_search.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_messages.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:26 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_acceptance.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_messages.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cp_para_types.mod tmc_types.mod base_hooks.mod message_passing.mod tmc_move_handle.mod cp_log_handling.mod tmc_stati.mod tmc_tree_build.mod kinds.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_messages.F tmc_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_tree_acceptance.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_analysis.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_analysis_types.mod input_section_types.mod tmc_types.mod base_hooks.mod tmc_calculations.mod cp_log_handling.mod tmc_file_io.mod mathconstants.mod force_fields_input.mod tmc_stati.mod tmc_tree_build.mod kinds.mod physcon.mod mathlib.mod cp_files.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis.F tmc_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:04 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_analysis.F90 /build/reproducible-path/cp2k-2023.1/src/mode_selective.F:845:100: 845 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: approx_H, H_save, residuum, tmp_b, tmp_s @@ -63869,9 +63900,7 @@ /build/reproducible-path/cp2k-2023.1/src/mode_selective.F:122:67: Warning: 'tmp_dip.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/mode_selective.F:122:67: Warning: 'tmp_dip.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/mode_selective.F:122:67: Warning: 'tmp_dip.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_qtb.mod' due to: pint_qtb.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod cp_para_types.mod input_section_types.mod parallel_rng_types.mod message_passing.mod fft_lib.mod cp_log_handling.mod mathconstants.mod input_constants.mod pint_io.mod fft_plan.mod kinds.mod cp_output_handling.mod fft_tools.mod base_hooks.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_piglet.mod' due to: pint_piglet.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod parallel_rng_types.mod cp_para_types.mod cp_files.mod message_passing.mod cp_units.mod gle_system_dynamics.mod input_constants.mod pint_io.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_interactions.mod' due to: helium_interactions.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_interactions.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod splines_types.mod helium_types.mod base_hooks.mod kinds.mod helium_common.mod input_constants.mod physcon.mod true /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_acceptance.F:396:10: @@ -63883,7 +63912,14 @@ 362 | LOGICAL :: parent_ready | ^ note: 'parent_ready' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_tree_acceptance.mod' due to: tmc_tree_acceptance.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod tmc_move_types.mod tmc_file_io.mod tmc_calculations.mod tmc_dot_tree.mod cp_log_handling.mod physcon.mod tmc_tree_search.mod tmc_move_handle.mod kinds.mod tmc_tree_build.mod base_hooks.mod tmc_stati.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_piglet.mod' due to: pint_piglet.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_piglet.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod pint_io.mod message_passing.mod cp_units.mod gle_system_dynamics.mod kinds.mod input_constants.mod cp_files.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod helium_types.mod pint_types.mod cell_types.mod input_section_types.mod memory_utilities.mod cp_units.mod cp_parser_methods.mod helium_common.mod message_passing.mod cp_log_handling.mod helium_interactions.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_io.F helium_io.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_tree_acceptance.mod' due to: tmc_tree_acceptance.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_tree_acceptance.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_move_types.mod tmc_types.mod base_hooks.mod tmc_dot_tree.mod tmc_calculations.mod cp_log_handling.mod tmc_move_handle.mod tmc_file_io.mod tmc_stati.mod tmc_tree_build.mod kinds.mod physcon.mod tmc_tree_search.mod +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:06 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_io.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_qtb.mod' due to: pint_qtb.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_qtb.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod parallel_rng_types.mod cp_para_types.mod input_section_types.mod fft_lib.mod base_hooks.mod pint_io.mod message_passing.mod cp_log_handling.mod mathconstants.mod fft_plan.mod fft_tools.mod input_constants.mod kinds.mod cp_files.mod cp_output_handling.mod true /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis.F:1178:69: @@ -63895,86 +63931,42 @@ 1131 | REAL(KIND=dp) :: aver_box_scale(3), vol, voldr | ^ note: 'voldr' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mode_selective.mod' due to: mode_selective.o /build/reproducible-path/cp2k-2023.1/src/mode_selective.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod replica_types.mod cp_para_types.mod input_section_types.mod particle_types.mod replica_methods.mod cp_files.mod mathlib.mod message_passing.mod cp_log_handling.mod input_constants.mod physcon.mod kinds.mod molden_utils.mod cp_output_handling.mod util.mod base_hooks.mod cp_result_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mode_selective.mod' due to: mode_selective.o /build/reproducible-path/cp2k-2023.1/src/mode_selective.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod replica_types.mod global_types.mod cp_para_types.mod input_section_types.mod cp_result_methods.mod util.mod replica_methods.mod base_hooks.mod molden_utils.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod mathlib.mod cp_files.mod cp_output_handling.mod true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a' due to: xtb_types.o xtb_parameters.o xtb_matrices.o xtb_ehess_force.o xtb_ehess.o xtb_coulomb.o xray_diffraction.o xc_write_output.o xc_pot_saop.o xc_adiabatic_utils.o xc_adiabatic_methods.o xas_tp_scf.o xas_tdp_utils.o xas_tdp_types.o xas_tdp_methods.o xas_tdp_kernel.o xas_tdp_integrals.o xas_tdp_correction.o xas_tdp_atom.o xas_restart.o xas_methods.o xas_env_types.o xas_control.o wannier_states_types.o wannier_states.o wannier90.o voronoi_interface.o virial_methods.o uff_vdw_radii_table.o transport_env_types.o transport.o torch_api.o topology_xyz.o topology_xtl.o topology_util.o topology_types.o topology_psf.o topology_pdb.o topology_multiple_unit_cell.o topology_input.o topology_gromos.o topology_generate_util.o topology_cp2k.o topology_coordinate_util.o topology_constraint_util.o topology_connectivity_util.o topology_cif.o topology_amber.o topology.o tip_scan_types.o tip_scan_methods.o task_list_types.o task_list_methods.o taper_types.o surface_dipole.o submatrix_types.o submatrix_dissection.o subcell_types.o stm_images.o statistical_methods.o spme.o splines_types.o splines_methods.o spglib_f08.o sirius_interface.o simpar_types.o shg_integrals_test.o semi_empirical_utils.o semi_empirical_types.o semi_empirical_store_int_types.o semi_empirical_parameters.o semi_empirical_par_utils.o semi_empirical_mpole_types.o semi_empirical_mpole_methods.o semi_empirical_integrals.o semi_empirical_int_utils.o semi_empirical_int_num.o semi_empirical_int_gks.o semi_empirical_int_debug.o semi_empirical_int_arrays.o semi_empirical_int_ana.o semi_empirical_int3_utils.o semi_empirical_expns3_types.o semi_empirical_expns3_methods.o se_fock_matrix_integrals.o se_fock_matrix_exchange.o se_fock_matrix_dbg.o se_fock_matrix_coulomb.o se_fock_matrix.o se_core_matrix.o se_core_core.o scine_utils.o scf_control_types.o sap_kind_types.o s_square_methods.o rtp_admm_methods.o rt_propagation_velocity_gauge.o rt_propagation_types.o rt_propagation_forces.o rpa_util.o rpa_rse.o rpa_main.o rpa_im_time_force_types.o rpa_im_time_force_methods.o rpa_im_time.o rpa_hfx.o rpa_gw_sigma_x.o rpa_gw_kpoints_util.o rpa_gw_im_time_util.o rpa_gw_ic.o rpa_gw.o rpa_grad.o rpa_communication.o rpa_axk.o rmsd.o ri_environment_methods.o restraint.o response_solver.o replica_types.o replica_methods.o rel_control_types.o qs_wf_history_types.o qs_wf_history_methods.o qs_wannier90.o qs_vxc_atom.o qs_vxc.o qs_update_s_mstruct.o qs_tensors_types.o qs_tensors.o qs_tddfpt_utils.o qs_tddfpt_types.o qs_tddfpt_module.o qs_tddfpt_eigensolver.o qs_tddfpt2_utils.o qs_tddfpt2_types.o qs_tddfpt2_subgroups.o qs_tddfpt2_stda_utils.o qs_tddfpt2_stda_types.o qs_tddfpt2_restart.o qs_tddfpt2_properties.o qs_tddfpt2_operators.o qs_tddfpt2_methods.o qs_tddfpt2_lri_utils.o qs_tddfpt2_fprint.o qs_tddfpt2_forces.o qs_tddfpt2_fhxc_forces.o qs_tddfpt2_fhxc.o qs_tddfpt2_eigensolver.o qs_tddfpt2_densities.o qs_subsys_types.o qs_subsys_methods.o qs_spin_orbit.o qs_scf_wfn_mix.o qs_scf_types.o qs_scf_post_tb.o qs_scf_post_se.o qs_scf_post_scf.o qs_scf_post_gpw.o qs_scf_output.o qs_scf_methods.o qs_scf_loop_utils.o qs_scf_lanczos.o qs_scf_initialization.o qs_scf_diagonalization.o qs_scf_csr_write.o qs_scf_block_davidson.o qs_scf.o qs_sccs.o qs_rho_types.o qs_rho_methods.o qs_rho_atom_types.o qs_rho_atom_methods.o qs_rho0_types.o qs_rho0_methods.o qs_rho0_ggrid.o qs_resp.o qs_period_efield_types.o qs_pdos.o qs_p_env_types.o qs_p_env_methods.o qs_overlap.o qs_outer_scf.o qs_ot_types.o qs_ot_scf.o qs_ot_minimizer.o qs_ot_eigensolver.o qs_ot.o qs_operators_ao.o qs_oce_types.o qs_oce_methods.o qs_o3c_types.o qs_o3c_methods.o qs_nl_hash_table_types.o qs_neighbor_lists.o qs_neighbor_list_types.o qs_moments.o qs_mom_types.o qs_mom_methods.o qs_mo_types.o qs_mo_occupation.o qs_mo_methods.o qs_mo_io.o qs_mixing_utils.o qs_matrix_w.o qs_matrix_pools.o qs_localization_methods.o qs_local_rho_types.o qs_local_properties.o qs_loc_utils.o qs_loc_types.o qs_loc_states.o qs_loc_molecules.o qs_loc_methods.o qs_loc_dipole.o qs_linres_types.o qs_linres_polar_utils.o qs_linres_op.o qs_linres_nmr_utils.o qs_linres_nmr_shift.o qs_linres_nmr_epr_common_utils.o qs_linres_module.o qs_linres_methods.o qs_linres_kernel.o qs_linres_issc_utils.o qs_linres_epr_utils.o qs_linres_epr_ownutils.o qs_linres_epr_nablavks.o qs_linres_current_utils.o qs_linres_current.o qs_linres_atom_current.o qs_ks_utils.o qs_ks_types.o qs_ks_reference.o qs_ks_qmmm_types.o qs_ks_qmmm_methods.o qs_ks_methods.o qs_ks_atom.o qs_ks_apply_restraints.o qs_kpp1_env_types.o qs_kpp1_env_methods.o qs_kinetic.o qs_kind_types.o qs_kernel_types.o qs_kernel_methods.o qs_interactions.o qs_integrate_potential_single.o qs_integrate_potential_product.o qs_integrate_potential.o qs_integral_utils.o qs_initial_guess.o qs_hash_table_functions.o qs_harmonics_atom.o qs_gspace_mixing.o qs_grid_atom.o qs_gcp_utils.o qs_gcp_types.o qs_gcp_method.o qs_gapw_densities.o qs_gamma2kp.o qs_fxc.o qs_force_types.o qs_force.o qs_fermi_contact.o qs_fb_trial_fns_types.o qs_fb_matrix_data_types.o qs_fb_input.o qs_fb_hash_table_types.o qs_fb_filter_matrix_methods.o qs_fb_env_types.o qs_fb_env_methods.o qs_fb_distribution_methods.o qs_fb_com_tasks_types.o qs_fb_buffer_types.o qs_fb_atomic_matrix_methods.o qs_fb_atomic_halo_types.o qs_external_potential.o qs_external_density.o qs_epr_hyp.o qs_environment_types.o qs_environment_methods.o qs_environment.o qs_energy_window.o qs_energy_utils.o qs_energy_types.o qs_energy_matrix_w.o qs_energy_init.o qs_energy.o qs_elf_methods.o qs_electric_field_gradient.o qs_elec_field.o qs_efield_local.o qs_efield_berry.o qs_dos.o qs_dispersion_utils.o qs_dispersion_types.o qs_dispersion_pairpot.o qs_dispersion_nonloc.o qs_diis_types.o qs_diis.o qs_dftb_utils.o qs_dftb_types.o qs_dftb_parameters.o qs_dftb_matrices.o qs_dftb_dispersion.o qs_dftb_coulomb.o qs_dftb3_methods.o qs_density_mixing_types.o qs_density_matrices.o qs_dcdr_utils.o qs_dcdr_ao.o qs_dcdr.o qs_core_hamiltonian.o qs_core_energies.o qs_condnum.o qs_commutators.o qs_collocate_density.o qs_charges_types.o qs_chargemol.o qs_charge_mixing.o qs_cdft_utils.o qs_cdft_types.o qs_cdft_scf_utils.o qs_cdft_opt_types.o qs_cdft_methods.o qs_block_davidson_types.o qs_basis_gradient.o qs_band_structure.o qs_atomic_block.o qs_active_space_types.o qs_active_space_methods.o qs_2nd_kernel_ao.o qmmmx_util.o qmmmx_update.o qmmmx_types.o qmmmx_force.o qmmmx_create.o qmmm_util.o qmmm_types_low.o qmmm_types.o qmmm_topology_util.o qmmm_tb_methods.o qmmm_tb_coulomb.o qmmm_se_forces.o qmmm_se_energy.o qmmm_pw_grid.o qmmm_per_elpot.o qmmm_links_methods.o qmmm_init.o qmmm_image_charge.o qmmm_gpw_forces.o qmmm_gpw_energy.o qmmm_gaussian_types.o qmmm_gaussian_input.o qmmm_gaussian_init.o qmmm_gaussian_data.o qmmm_force.o qmmm_ff_fist.o qmmm_elpot.o qmmm_create.o pwdft_environment_types.o pwdft_environment.o pw_poisson_read_input.o pw_env_methods.o preconditioner_types.o preconditioner_solvers.o preconditioner_makes.o preconditioner_apply.o preconditioner.o population_analyses.o pme_tools.o pme.o pilaenv_hack.o pexsi_types.o pexsi_methods.o pexsi_interface.o paw_proj_set_types.o particle_methods.o parallel_gemm_api.o pao_types.o pao_potentials.o pao_param_linpot.o pao_param_gth.o pao_param_fock.o pao_param_exp.o pao_param.o pao_optimizer.o pao_ml_neuralnet.o pao_ml_gaussprocess.o pao_ml_descriptor.o pao_ml.o pao_methods.o pao_main.o pao_linpot_rotinv.o pao_linpot_full.o pao_io.o pao_input.o pair_potential_util.o pair_potential_types.o pair_potential_coulomb.o pair_potential.o outer_scf_control_types.o optimize_input.o optimize_embedding_potential.o optimize_dmfet_potential.o optimize_basis_utils.o optimize_basis_types.o optimize_basis.o optbas_opt_utils.o optbas_fenv_manipulation.o nnp_model.o nnp_force.o nnp_environment_types.o nnp_environment.o nnp_acsf.o negf_vectors.o negf_subgroup_types.o negf_methods.o negf_matrix_utils.o negf_integr_utils.o negf_integr_simpson.o negf_integr_cc.o negf_green_methods.o negf_green_cache.o negf_env_types.o negf_control_types.o negf_atom_map.o negf_alloc_types.o mulliken.o mscfg_types.o mscfg_methods.o mp2_types.o mp2_setup.o mp2_ri_libint.o mp2_ri_grad_util.o mp2_ri_grad.o mp2_ri_gpw.o mp2_ri_2c.o mp2_optimize_ri_basis.o mp2_laplace.o mp2_integrals.o mp2_grids.o mp2_gpw_method.o mp2_gpw.o mp2_eri_gpw.o mp2_eri.o mp2_direct_method.o mp2_cphf.o mp2.o motion_utils.o moments_utils.o molsym.o molecular_states.o molecular_moments.o molecular_dipoles.o molden_utils.o mol_force.o mode_selective.o mm_mapping_library.o mm_collocate_potential.o mixed_main.o mixed_environment_utils.o mixed_environment_types.o mixed_environment.o mixed_energy_types.o mixed_cdft_utils.o mixed_cdft_types.o mixed_cdft_methods.o minbas_wfn_analysis.o minbas_methods.o metadynamics_utils.o metadynamics_types.o metadynamics.o mdctrl_types.o maxwell_solver_interface.o matrix_exp.o mao_wfn_analysis.o mao_types.o mao_optimizer.o mao_methods.o mao_basis.o manybody_tersoff.o manybody_siepmann.o manybody_quip.o manybody_potential.o manybody_gal21.o manybody_gal.o manybody_eam.o ls_matrix_exp.o lri_optimize_ri_basis_types.o lri_optimize_ri_basis.o lri_ks_methods.o lri_integrals.o lri_forces.o lri_environment_types.o lri_environment_methods.o lri_environment_init.o lri_compression.o localization_tb.o local_gemm_api.o linesearch.o library_tests.o libint_wrapper.o libint_2c_3c.o kpoint_types.o kpoint_transitional.o kpoint_methods.o kpoint_io.o kpoint_coulomb_2c.o kg_vertex_coloring_methods.o kg_tnadd_mat.o kg_environment_types.o kg_environment.o kg_correction.o iterate_matrix.o ipi_driver.o integration_grid_types.o input_restart_rng.o input_restart_force_eval.o input_optimize_input.o input_optimize_basis.o input_cp2k_xc.o input_cp2k_voronoi.o input_cp2k_transport.o input_cp2k_thermostats.o input_cp2k_tb.o input_cp2k_subsys.o input_cp2k_rsgrid.o input_cp2k_restarts_util.o input_cp2k_resp.o input_cp2k_read.o input_cp2k_qmmm.o input_cp2k_pwdft.o input_cp2k_properties_dft.o input_cp2k_poisson.o input_cp2k_nnp.o input_cp2k_negf.o input_cp2k_neb.o input_cp2k_mp2.o input_cp2k_motion_print.o input_cp2k_mm.o input_cp2k_mixed.o input_cp2k_ls.o input_cp2k_loc.o input_cp2k_kpoints.o input_cp2k_hfx.o input_cp2k_global.o input_cp2k_free_energy.o input_cp2k_force_eval.o input_cp2k_field.o input_cp2k_external.o input_cp2k_exstate.o input_cp2k_embed.o input_cp2k_eip.o input_cp2k_ec.o input_cp2k_distribution.o input_cp2k_dft.o input_cp2k_constraints.o input_cp2k_colvar.o input_cp2k_check.o input_cp2k_binary_restarts.o input_cp2k_atprop.o input_cp2k_atom.o input_cp2k_almo.o input_constants.o hirshfeld_types.o hirshfeld_methods.o hfx_types.o hfx_screening_methods.o hfx_ri.o hfx_pw_methods.o hfx_pair_list_methods.o hfx_load_balance_methods.o hfx_libint_interface.o hfx_helpers.o hfx_energy_potential.o hfx_derivatives.o hfx_compression_methods.o hfx_communication.o hfx_admm_utils.o header.o hartree_local_types.o hartree_local_methods.o grrm_utils.o group_dist_types.o graphcon.o global_types.o gle_system_types.o generic_os_integrals.o free_energy_types.o fp_types.o fp_methods.o force_fields_util.o force_fields_input.o force_fields_ext.o force_fields_all.o force_fields.o force_field_types.o force_env_utils.o force_env_types.o force_env_methods.o fist_pol_scf.o fist_nonbond_force.o fist_nonbond_env_types.o fist_neighbor_lists.o fist_neighbor_list_types.o fist_neighbor_list_control.o fist_main.o fist_intra_force.o fist_force.o fist_environment_types.o fist_environment.o fist_energy_types.o fist_efield_types.o fist_efield_methods.o fermi_utils.o farming_types.o farming_methods.o f77_interface.o external_potential_methods.o extended_system_types.o exstates_types.o exclusion_types.o excited_states.o ex_property_calculation.o ewalds_multipole.o ewalds.o ewald_spline_util.o ewald_pw_types.o ewald_pw_methods.o ewald_methods_tb.o ewald_environment_types.o et_coupling_types.o et_coupling_proj.o et_coupling.o environment.o energy_corrections.o embed_types.o embed_main.o embed_environment.o eip_silicon.o eip_environment_types.o eip_environment.o efield_utils.o efield_tb_methods.o ec_orth_solver.o ec_methods.o ec_environment.o ec_env_types.o ec_efield_local.o domain_submatrix_types.o domain_submatrix_methods.o dm_ls_scf_types.o dm_ls_scf_qs.o dm_ls_scf_methods.o dm_ls_scf_curvy.o dm_ls_scf_create.o dm_ls_scf.o dm_ls_chebyshev.o dkh_main.o distribution_methods.o distribution_2d_types.o dgemm_counter_types.o dft_plus_u.o debug_os_integrals.o ct_types.o ct_methods.o csvr_system_utils.o csvr_system_types.o cryssym.o cp_symmetry.o cp_subsys_methods.o cp_realspace_grid_init.o cp_realspace_grid_cube.o cp_external_control.o cp_eri_mme_interface.o cp_ddapc_util.o cp_ddapc_types.o cp_ddapc_methods.o cp_ddapc_forces.o cp_ddapc.o cp_dbcsr_output.o cp_dbcsr_operations.o cp_dbcsr_diag.o cp_dbcsr_cp2k_link.o cp_dbcsr_cholesky.o cp_control_utils.o cp_control_types.o cp2k_info.o cp2k_debug.o core_ppnl.o core_ppl.o core_ae.o constraint_vsite.o constraint_util.o constraint_fxd.o constraint_clv.o constraint_4x6.o constraint_3x3.o constraint.o commutator_rpnl.o commutator_rkinetic.o colvar_utils.o colvar_methods.o cell_methods.o bsse.o bse.o block_p_types.o beta_gamma_psi.o basis_set_output.o auto_basis.o atoms_input.o atomic_charges.o atom_xc.o atom_utils.o atom_upf.o atom_types.o atom_sgp.o atom_pseudo.o atom_output.o atom_optimization.o atom_operators.o atom_kind_orbitals.o atom_grb.o atom_fit.o atom_energy.o atom_electronic_structure.o atom_basis.o atom_admm_methods.o atom.o almo_scf_types.o almo_scf_qs.o almo_scf_optimizer.o almo_scf_methods.o almo_scf_lbfgs_types.o almo_scf_env_methods.o almo_scf_diis_types.o almo_scf.o al_system_types.o admm_utils.o admm_types.o admm_methods.o admm_dm_types.o admm_dm_methods.o sockets.o torch_c_api.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a xtb_types.o xtb_parameters.o xtb_matrices.o xtb_ehess_force.o xtb_ehess.o xtb_coulomb.o xray_diffraction.o xc_write_output.o xc_pot_saop.o xc_adiabatic_utils.o xc_adiabatic_methods.o xas_tp_scf.o xas_tdp_utils.o xas_tdp_types.o xas_tdp_methods.o xas_tdp_kernel.o xas_tdp_integrals.o xas_tdp_correction.o xas_tdp_atom.o xas_restart.o xas_methods.o xas_env_types.o xas_control.o wannier_states_types.o wannier_states.o wannier90.o voronoi_interface.o virial_methods.o uff_vdw_radii_table.o transport_env_types.o transport.o torch_api.o topology_xyz.o topology_xtl.o topology_util.o topology_types.o topology_psf.o topology_pdb.o topology_multiple_unit_cell.o topology_input.o topology_gromos.o topology_generate_util.o topology_cp2k.o topology_coordinate_util.o topology_constraint_util.o topology_connectivity_util.o topology_cif.o topology_amber.o topology.o tip_scan_types.o tip_scan_methods.o task_list_types.o task_list_methods.o taper_types.o surface_dipole.o submatrix_types.o submatrix_dissection.o subcell_types.o stm_images.o statistical_methods.o spme.o splines_types.o splines_methods.o spglib_f08.o sirius_interface.o simpar_types.o shg_integrals_test.o semi_empirical_utils.o semi_empirical_types.o semi_empirical_store_int_types.o semi_empirical_parameters.o semi_empirical_par_utils.o semi_empirical_mpole_types.o semi_empirical_mpole_methods.o semi_empirical_integrals.o semi_empirical_int_utils.o semi_empirical_int_num.o semi_empirical_int_gks.o semi_empirical_int_debug.o semi_empirical_int_arrays.o semi_empirical_int_ana.o semi_empirical_int3_utils.o semi_empirical_expns3_types.o semi_empirical_expns3_methods.o se_fock_matrix_integrals.o se_fock_matrix_exchange.o se_fock_matrix_dbg.o se_fock_matrix_coulomb.o se_fock_matrix.o se_core_matrix.o se_core_core.o scine_utils.o scf_control_types.o sap_kind_types.o s_square_methods.o rtp_admm_methods.o rt_propagation_velocity_gauge.o rt_propagation_types.o rt_propagation_forces.o rpa_util.o rpa_rse.o rpa_main.o rpa_im_time_force_types.o rpa_im_time_force_methods.o rpa_im_time.o rpa_hfx.o rpa_gw_sigma_x.o rpa_gw_kpoints_util.o rpa_gw_im_time_util.o rpa_gw_ic.o rpa_gw.o rpa_grad.o rpa_communication.o rpa_axk.o rmsd.o ri_environment_methods.o restraint.o response_solver.o replica_types.o replica_methods.o rel_control_types.o qs_wf_history_types.o qs_wf_history_methods.o qs_wannier90.o qs_vxc_atom.o qs_vxc.o qs_update_s_mstruct.o qs_tensors_types.o qs_tensors.o qs_tddfpt_utils.o qs_tddfpt_types.o qs_tddfpt_module.o qs_tddfpt_eigensolver.o qs_tddfpt2_utils.o qs_tddfpt2_types.o qs_tddfpt2_subgroups.o qs_tddfpt2_stda_utils.o qs_tddfpt2_stda_types.o qs_tddfpt2_restart.o qs_tddfpt2_properties.o qs_tddfpt2_operators.o qs_tddfpt2_methods.o qs_tddfpt2_lri_utils.o qs_tddfpt2_fprint.o qs_tddfpt2_forces.o qs_tddfpt2_fhxc_forces.o qs_tddfpt2_fhxc.o qs_tddfpt2_eigensolver.o qs_tddfpt2_densities.o qs_subsys_types.o qs_subsys_methods.o qs_spin_orbit.o qs_scf_wfn_mix.o qs_scf_types.o qs_scf_post_tb.o qs_scf_post_se.o qs_scf_post_scf.o qs_scf_post_gpw.o qs_scf_output.o qs_scf_methods.o qs_scf_loop_utils.o qs_scf_lanczos.o qs_scf_initialization.o qs_scf_diagonalization.o qs_scf_csr_write.o qs_scf_block_davidson.o qs_scf.o qs_sccs.o qs_rho_types.o qs_rho_methods.o qs_rho_atom_types.o qs_rho_atom_methods.o qs_rho0_types.o qs_rho0_methods.o qs_rho0_ggrid.o qs_resp.o qs_period_efield_types.o qs_pdos.o qs_p_env_types.o qs_p_env_methods.o qs_overlap.o qs_outer_scf.o qs_ot_types.o qs_ot_scf.o qs_ot_minimizer.o qs_ot_eigensolver.o qs_ot.o qs_operators_ao.o qs_oce_types.o qs_oce_methods.o qs_o3c_types.o qs_o3c_methods.o qs_nl_hash_table_types.o qs_neighbor_lists.o qs_neighbor_list_types.o qs_moments.o qs_mom_types.o qs_mom_methods.o qs_mo_types.o qs_mo_occupation.o qs_mo_methods.o qs_mo_io.o qs_mixing_utils.o qs_matrix_w.o qs_matrix_pools.o qs_localization_methods.o qs_local_rho_types.o qs_local_properties.o qs_loc_utils.o qs_loc_types.o qs_loc_states.o qs_loc_molecules.o qs_loc_methods.o qs_loc_dipole.o qs_linres_types.o qs_linres_polar_utils.o qs_linres_op.o qs_linres_nmr_utils.o qs_linres_nmr_shift.o qs_linres_nmr_epr_common_utils.o qs_linres_module.o qs_linres_methods.o qs_linres_kernel.o qs_linres_issc_utils.o qs_linres_epr_utils.o qs_linres_epr_ownutils.o qs_linres_epr_nablavks.o qs_linres_current_utils.o qs_linres_current.o qs_linres_atom_current.o qs_ks_utils.o qs_ks_types.o qs_ks_reference.o qs_ks_qmmm_types.o qs_ks_qmmm_methods.o qs_ks_methods.o qs_ks_atom.o qs_ks_apply_restraints.o qs_kpp1_env_types.o qs_kpp1_env_methods.o qs_kinetic.o qs_kind_types.o qs_kernel_types.o qs_kernel_methods.o qs_interactions.o qs_integrate_potential_single.o qs_integrate_potential_product.o qs_integrate_potential.o qs_integral_utils.o qs_initial_guess.o qs_hash_table_functions.o qs_harmonics_atom.o qs_gspace_mixing.o qs_grid_atom.o qs_gcp_utils.o qs_gcp_types.o qs_gcp_method.o qs_gapw_densities.o qs_gamma2kp.o qs_fxc.o qs_force_types.o qs_force.o qs_fermi_contact.o qs_fb_trial_fns_types.o qs_fb_matrix_data_types.o qs_fb_input.o qs_fb_hash_table_types.o qs_fb_filter_matrix_methods.o qs_fb_env_types.o qs_fb_env_methods.o qs_fb_distribution_methods.o qs_fb_com_tasks_types.o qs_fb_buffer_types.o qs_fb_atomic_matrix_methods.o qs_fb_atomic_halo_types.o qs_external_potential.o qs_external_density.o qs_epr_hyp.o qs_environment_types.o qs_environment_methods.o qs_environment.o qs_energy_window.o qs_energy_utils.o qs_energy_types.o qs_energy_matrix_w.o qs_energy_init.o qs_energy.o qs_elf_methods.o qs_electric_field_gradient.o qs_elec_field.o qs_efield_local.o qs_efield_berry.o qs_dos.o qs_dispersion_utils.o qs_dispersion_types.o qs_dispersion_pairpot.o qs_dispersion_nonloc.o qs_diis_types.o qs_diis.o qs_dftb_utils.o qs_dftb_types.o qs_dftb_parameters.o qs_dftb_matrices.o qs_dftb_dispersion.o qs_dftb_coulomb.o qs_dftb3_methods.o qs_density_mixing_types.o qs_density_matrices.o qs_dcdr_utils.o qs_dcdr_ao.o qs_dcdr.o qs_core_hamiltonian.o qs_core_energies.o qs_condnum.o qs_commutators.o qs_collocate_density.o qs_charges_types.o qs_chargemol.o qs_charge_mixing.o qs_cdft_utils.o qs_cdft_types.o qs_cdft_scf_utils.o qs_cdft_opt_types.o qs_cdft_methods.o qs_block_davidson_types.o qs_basis_gradient.o qs_band_structure.o qs_atomic_block.o qs_active_space_types.o qs_active_space_methods.o qs_2nd_kernel_ao.o qmmmx_util.o qmmmx_update.o qmmmx_types.o qmmmx_force.o qmmmx_create.o qmmm_util.o qmmm_types_low.o qmmm_types.o qmmm_topology_util.o qmmm_tb_methods.o qmmm_tb_coulomb.o qmmm_se_forces.o qmmm_se_energy.o qmmm_pw_grid.o qmmm_per_elpot.o qmmm_links_methods.o qmmm_init.o qmmm_image_charge.o qmmm_gpw_forces.o qmmm_gpw_energy.o qmmm_gaussian_types.o qmmm_gaussian_input.o qmmm_gaussian_init.o qmmm_gaussian_data.o qmmm_force.o qmmm_ff_fist.o qmmm_elpot.o qmmm_create.o pwdft_environment_types.o pwdft_environment.o pw_poisson_read_input.o pw_env_methods.o preconditioner_types.o preconditioner_solvers.o preconditioner_makes.o preconditioner_apply.o preconditioner.o population_analyses.o pme_tools.o pme.o pilaenv_hack.o pexsi_types.o pexsi_methods.o pexsi_interface.o paw_proj_set_types.o particle_methods.o parallel_gemm_api.o pao_types.o pao_potentials.o pao_param_linpot.o pao_param_gth.o pao_param_fock.o pao_param_exp.o pao_param.o pao_optimizer.o pao_ml_neuralnet.o pao_ml_gaussprocess.o pao_ml_descriptor.o pao_ml.o pao_methods.o pao_main.o pao_linpot_rotinv.o pao_linpot_full.o pao_io.o pao_input.o pair_potential_util.o pair_potential_types.o pair_potential_coulomb.o pair_potential.o outer_scf_control_types.o optimize_input.o optimize_embedding_potential.o optimize_dmfet_potential.o optimize_basis_utils.o optimize_basis_types.o optimize_basis.o optbas_opt_utils.o optbas_fenv_manipulation.o nnp_model.o nnp_force.o nnp_environment_types.o nnp_environment.o nnp_acsf.o negf_vectors.o negf_subgroup_types.o negf_methods.o negf_matrix_utils.o negf_integr_utils.o negf_integr_simpson.o negf_integr_cc.o negf_green_methods.o negf_green_cache.o negf_env_types.o negf_control_types.o negf_atom_map.o negf_alloc_types.o mulliken.o mscfg_types.o mscfg_methods.o mp2_types.o mp2_setup.o mp2_ri_libint.o mp2_ri_grad_util.o mp2_ri_grad.o mp2_ri_gpw.o mp2_ri_2c.o mp2_optimize_ri_basis.o mp2_laplace.o mp2_integrals.o mp2_grids.o mp2_gpw_method.o mp2_gpw.o mp2_eri_gpw.o mp2_eri.o mp2_direct_method.o mp2_cphf.o mp2.o motion_utils.o moments_utils.o molsym.o molecular_states.o molecular_moments.o molecular_dipoles.o molden_utils.o mol_force.o mode_selective.o mm_mapping_library.o mm_collocate_potential.o mixed_main.o mixed_environment_utils.o mixed_environment_types.o mixed_environment.o mixed_energy_types.o mixed_cdft_utils.o mixed_cdft_types.o mixed_cdft_methods.o minbas_wfn_analysis.o minbas_methods.o metadynamics_utils.o metadynamics_types.o metadynamics.o mdctrl_types.o maxwell_solver_interface.o matrix_exp.o mao_wfn_analysis.o mao_types.o mao_optimizer.o mao_methods.o mao_basis.o manybody_tersoff.o manybody_siepmann.o manybody_quip.o manybody_potential.o manybody_gal21.o manybody_gal.o manybody_eam.o ls_matrix_exp.o lri_optimize_ri_basis_types.o lri_optimize_ri_basis.o lri_ks_methods.o lri_integrals.o lri_forces.o lri_environment_types.o lri_environment_methods.o lri_environment_init.o lri_compression.o localization_tb.o local_gemm_api.o linesearch.o library_tests.o libint_wrapper.o libint_2c_3c.o kpoint_types.o kpoint_transitional.o kpoint_methods.o kpoint_io.o kpoint_coulomb_2c.o kg_vertex_coloring_methods.o kg_tnadd_mat.o kg_environment_types.o kg_environment.o kg_correction.o iterate_matrix.o ipi_driver.o integration_grid_types.o input_restart_rng.o input_restart_force_eval.o input_optimize_input.o input_optimize_basis.o input_cp2k_xc.o input_cp2k_voronoi.o input_cp2k_transport.o input_cp2k_thermostats.o input_cp2k_tb.o input_cp2k_subsys.o input_cp2k_rsgrid.o input_cp2k_restarts_util.o input_cp2k_resp.o input_cp2k_read.o input_cp2k_qmmm.o input_cp2k_pwdft.o input_cp2k_properties_dft.o input_cp2k_poisson.o input_cp2k_nnp.o input_cp2k_negf.o input_cp2k_neb.o input_cp2k_mp2.o input_cp2k_motion_print.o input_cp2k_mm.o input_cp2k_mixed.o input_cp2k_ls.o input_cp2k_loc.o input_cp2k_kpoints.o input_cp2k_hfx.o input_cp2k_global.o input_cp2k_free_energy.o input_cp2k_force_eval.o input_cp2k_field.o input_cp2k_external.o input_cp2k_exstate.o input_cp2k_embed.o input_cp2k_eip.o input_cp2k_ec.o input_cp2k_distribution.o input_cp2k_dft.o input_cp2k_constraints.o input_cp2k_colvar.o input_cp2k_check.o input_cp2k_binary_restarts.o input_cp2k_atprop.o input_cp2k_atom.o input_cp2k_almo.o input_constants.o hirshfeld_types.o hirshfeld_methods.o hfx_types.o hfx_screening_methods.o hfx_ri.o hfx_pw_methods.o hfx_pair_list_methods.o hfx_load_balance_methods.o hfx_libint_interface.o hfx_helpers.o hfx_energy_potential.o hfx_derivatives.o hfx_compression_methods.o hfx_communication.o hfx_admm_utils.o header.o hartree_local_types.o hartree_local_methods.o grrm_utils.o group_dist_types.o graphcon.o global_types.o gle_system_types.o generic_os_integrals.o free_energy_types.o fp_types.o fp_methods.o force_fields_util.o force_fields_input.o force_fields_ext.o force_fields_all.o force_fields.o force_field_types.o force_env_utils.o force_env_types.o force_env_methods.o fist_pol_scf.o fist_nonbond_force.o fist_nonbond_env_types.o fist_neighbor_lists.o fist_neighbor_list_types.o fist_neighbor_list_control.o fist_main.o fist_intra_force.o fist_force.o fist_environment_types.o fist_environment.o fist_energy_types.o fist_efield_types.o fist_efield_methods.o fermi_utils.o farming_types.o farming_methods.o f77_interface.o external_potential_methods.o extended_system_types.o exstates_types.o exclusion_types.o excited_states.o ex_property_calculation.o ewalds_multipole.o ewalds.o ewald_spline_util.o ewald_pw_types.o ewald_pw_methods.o ewald_methods_tb.o ewald_environment_types.o et_coupling_types.o et_coupling_proj.o et_coupling.o environment.o energy_corrections.o embed_types.o embed_main.o embed_environment.o eip_silicon.o eip_environment_types.o eip_environment.o efield_utils.o efield_tb_methods.o ec_orth_solver.o ec_methods.o ec_environment.o ec_env_types.o ec_efield_local.o domain_submatrix_types.o domain_submatrix_methods.o dm_ls_scf_types.o dm_ls_scf_qs.o dm_ls_scf_methods.o dm_ls_scf_curvy.o dm_ls_scf_create.o dm_ls_scf.o dm_ls_chebyshev.o dkh_main.o distribution_methods.o distribution_2d_types.o dgemm_counter_types.o dft_plus_u.o debug_os_integrals.o ct_types.o ct_methods.o csvr_system_utils.o csvr_system_types.o cryssym.o cp_symmetry.o cp_subsys_methods.o cp_realspace_grid_init.o cp_realspace_grid_cube.o cp_external_control.o cp_eri_mme_interface.o cp_ddapc_util.o cp_ddapc_types.o cp_ddapc_methods.o cp_ddapc_forces.o cp_ddapc.o cp_dbcsr_output.o cp_dbcsr_operations.o cp_dbcsr_diag.o cp_dbcsr_cp2k_link.o cp_dbcsr_cholesky.o cp_control_utils.o cp_control_types.o cp2k_info.o cp2k_debug.o core_ppnl.o core_ppl.o core_ae.o constraint_vsite.o constraint_util.o constraint_fxd.o constraint_clv.o constraint_4x6.o constraint_3x3.o constraint.o commutator_rpnl.o commutator_rkinetic.o colvar_utils.o colvar_methods.o cell_methods.o bsse.o bse.o block_p_types.o beta_gamma_psi.o basis_set_output.o auto_basis.o atoms_input.o atomic_charges.o atom_xc.o atom_utils.o atom_upf.o atom_types.o atom_sgp.o atom_pseudo.o atom_output.o atom_optimization.o atom_operators.o atom_kind_orbitals.o atom_grb.o atom_fit.o atom_energy.o atom_electronic_structure.o atom_basis.o atom_admm_methods.o atom.o almo_scf_types.o almo_scf_qs.o almo_scf_optimizer.o almo_scf_methods.o almo_scf_lbfgs_types.o almo_scf_env_methods.o almo_scf_diis_types.o almo_scf.o al_system_types.o admm_utils.o admm_types.o admm_methods.o admm_dm_types.o admm_dm_methods.o sockets.o torch_c_api.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'vibrational_analysis.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/vibrational_analysis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod cp_subsys_types.mod replica_types.mod molecule_kind_list_types.mod input_section_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod particle_types.mod replica_methods.mod cp_log_handling.mod physcon.mod molden_utils.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod mathlib.mod scine_utils.mod input_constants.mod kinds.mod cp_result_methods.mod mode_selective.mod motion_utils.mod header.mod mathconstants.mod cp_blacs_env.mod util.mod f77_interface.mod base_hooks.mod grrm_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'vibrational_analysis.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/vibrational_analysis.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod cp_fm_types.mod replica_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod particle_list_types.mod input_section_types.mod grrm_utils.mod cp_result_methods.mod scine_utils.mod mathconstants.mod mathlib.mod util.mod replica_methods.mod molden_utils.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp_output_handling.mod motion_utils.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod cp_blacs_env.mod header.mod mode_selective.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/vibrational_analysis.F vibrational_analysis.F90 /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:144: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/nequip_unittest.psmp' due to: nequip_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/nequip_unittest.psmp nequip_unittest.o -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' vibrational_analysis.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_restarts.mod' due to: input_cp2k_restarts.o /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod gle_system_types.mod parallel_rng_types.mod csvr_system_types.mod cp_para_types.mod metadynamics_types.mod simpar_types.mod thermostat_types.mod cp_subsys_types.mod al_system_types.mod neb_types.mod averages_types.mod helium_types.mod molecule_kind_list_types.mod pint_types.mod md_environment_types.mod input_section_types.mod extended_system_types.mod force_env_types.mod particle_list_types.mod particle_types.mod input_val_types.mod atomic_kind_list_types.mod cp_linked_list_input.mod cp_log_handling.mod physcon.mod cp_output_handling.mod input_restart_rng.mod pint_transformations.mod string_utilities.mod input_constants.mod kinds.mod thermostat_utils.mod input_restart_force_eval.mod memory_utilities.mod message_passing.mod base_hooks.mod cp2k_info.mod +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/nequip_unittest.psmp nequip_unittest.o -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:08 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' vibrational_analysis.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_messages.mod' due to: tmc_messages.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cp_para_types.mod tmc_types.mod base_hooks.mod message_passing.mod tmc_move_handle.mod cp_log_handling.mod tmc_stati.mod tmc_tree_build.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gopt_f_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_para_types.mod atomic_kind_types.mod gopt_param_types.mod cp_subsys_types.mod input_section_types.mod gopt_f_types.mod force_env_types.mod distribution_1d_types.mod dimer_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod cp_log_handling.mod input_cp2k_restarts.mod particle_methods.mod machine.mod cp_units.mod input_constants.mod kinds.mod dimer_utils.mod qmmm_util.mod md_energies.mod motion_utils.mod virial_methods.mod base_hooks.mod qmmmx_util.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F gopt_f_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod qs_kind_types.mod cell_types.mod rt_propagation_types.mod bibliography.mod cp_log_handling.mod rt_hfx_utils.mod rt_propagation_output.mod input_cp2k_restarts.mod cp_output_handling.mod cp_external_control.mod qs_dftb_matrices.mod machine.mod cp_fm_struct.mod force_env_methods.mod input_constants.mod kinds.mod qs_external_potential.mod rt_delta_pulse.mod rt_propagation_methods.mod rt_propagator_init.mod cp_blacs_env.mod qs_energy_init.mod rt_propagation_velocity_gauge.mod qs_ks_methods.mod rt_propagation_utils.mod base_hooks.mod efield_utils.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/rt_propagation.F rt_propagation.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_io.mod' due to: helium_io.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod helium_types.mod pint_types.mod input_section_types.mod cell_types.mod cp_log_handling.mod physcon.mod cp_output_handling.mod machine.mod cp_units.mod cp_parser_methods.mod helium_interactions.mod input_constants.mod kinds.mod memory_utilities.mod helium_common.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_master.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod global_types.mod cp_para_types.mod cell_types.mod tmc_calculations.mod tmc_move_handle.mod tmc_tree_acceptance.mod cp_external_control.mod tmc_tree_build.mod tmc_dot_tree.mod cp_log_handling.mod tmc_stati.mod kinds.mod base_hooks.mod tmc_file_io.mod machine.mod tmc_messages.mod tmc_cancelation.mod tmc_tree_search.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_master.F tmc_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:10 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_master.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_io.mod' due to: helium_io.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod cp_para_types.mod helium_types.mod pint_types.mod cell_types.mod input_section_types.mod memory_utilities.mod cp_units.mod cp_parser_methods.mod helium_common.mod message_passing.mod cp_log_handling.mod helium_interactions.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod machine.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod neb_types.mod replica_types.mod input_section_types.mod force_env_types.mod input_keyword_types.mod cell_types.mod particle_types.mod cp_log_handling.mod input_cp2k_neb.mod neb_md_utils.mod physcon.mod input_cp2k_restarts.mod cp_output_handling.mod particle_methods.mod cp_files.mod machine.mod cp_units.mod input_constants.mod kinds.mod header.mod f77_interface.mod base_hooks.mod cp2k_info.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_io.F neb_io.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod cp_para_types.mod input_section_types.mod md_energies.mod input_cp2k_restarts.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_files.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_util.F md_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gopt_f_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_util.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_worm.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 helium_types.mod pint_types.mod helium_common.mod helium_io.mod mathconstants.mod helium_interactions.mod input_constants.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_worm.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod helium_types.mod base_hooks.mod helium_io.mod mathconstants.mod helium_interactions.mod helium_common.mod input_constants.mod kinds.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_worm.F helium_worm.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_analysis.mod' due to: tmc_analysis.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod cell_types.mod input_section_types.mod tmc_analysis_types.mod tmc_types.mod force_fields_input.mod mathlib.mod tmc_file_io.mod tmc_calculations.mod mathconstants.mod cp_log_handling.mod tmc_stati.mod physcon.mod kinds.mod tmc_tree_build.mod base_hooks.mod cp_files.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:29 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_worm.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_messages.mod' due to: tmc_messages.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_messages.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_tree_types.mod tmc_types.mod cp_para_types.mod message_passing.mod cp_log_handling.mod tmc_stati.mod tmc_move_handle.mod kinds.mod tmc_tree_build.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_analysis.mod' due to: tmc_analysis.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_analysis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cell_types.mod tmc_tree_types.mod tmc_analysis_types.mod input_section_types.mod tmc_types.mod base_hooks.mod tmc_calculations.mod cp_log_handling.mod tmc_file_io.mod mathconstants.mod force_fields_input.mod tmc_stati.mod tmc_tree_build.mod kinds.mod physcon.mod mathlib.mod cp_files.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_worker.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_result_types.mod cp_para_types.mod cp_subsys_types.mod tmc_move_types.mod tmc_tree_types.mod tmc_analysis_types.mod force_env_types.mod tmc_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod tmc_analysis.mod tmc_moves.mod cp_external_control.mod tmc_messages.mod kinds.mod tmc_tree_build.mod cp_result_methods.mod tmc_calculations.mod tmc_move_handle.mod f77_interface.mod message_passing.mod tmc_tree_acceptance.mod base_hooks.mod tmc_stati.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_worm.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_worker.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod molecule_list_types.mod tmc_types.mod tmc_tree_types.mod tmc_analysis_types.mod cp_result_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod tmc_move_types.mod particle_list_types.mod tmc_calculations.mod tmc_move_handle.mod tmc_tree_acceptance.mod cp_external_control.mod cp_result_methods.mod tmc_tree_build.mod message_passing.mod tmc_moves.mod cp_log_handling.mod tmc_stati.mod kinds.mod f77_interface.mod base_hooks.mod tmc_messages.mod tmc_analysis.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_worker.F tmc_worker.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_master.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod tmc_tree_types.mod tmc_types.mod cell_types.mod cp_log_handling.mod tmc_dot_tree.mod cp_external_control.mod tmc_messages.mod machine.mod tmc_cancelation.mod kinds.mod tmc_tree_build.mod tmc_calculations.mod tmc_move_handle.mod tmc_file_io.mod tmc_tree_acceptance.mod tmc_tree_search.mod base_hooks.mod tmc_stati.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_master.F tmc_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:30 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_master.F90 -/build/reproducible-path/cp2k-2023.1/src/motion/neb_io.F:435:55: - - 435 | logger%iter_info%project_name = replica_proj_name - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_util.mod' due to: md_util.o /build/reproducible-path/cp2k-2023.1/src/motion/md_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod cp_para_types.mod input_section_types.mod md_energies.mod input_cp2k_restarts.mod message_passing.mod cp_log_handling.mod kinds.mod base_hooks.mod cp_output_handling.mod cp_files.mod -true -/build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F:999:14: - - 999 | CPASSERT((SIZE(x) == idg + 6)) - | ^ -Warning: 'idg' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F:963:73: - - 963 | INTEGER :: i, iatom, idg, j, natom, nparticle, & - | ^ -note: 'idg' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_io.mod' due to: neb_io.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_enumeration_types.mod neb_types.mod replica_types.mod input_section_types.mod force_env_types.mod input_keyword_types.mod cell_types.mod particle_types.mod cp_log_handling.mod input_cp2k_neb.mod neb_md_utils.mod physcon.mod input_cp2k_restarts.mod cp_output_handling.mod particle_methods.mod cp_files.mod machine.mod cp_units.mod input_constants.mod kinds.mod header.mod f77_interface.mod base_hooks.mod cp2k_info.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gopt_f_methods.mod' due to: gopt_f_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_para_types.mod atomic_kind_types.mod gopt_param_types.mod cp_subsys_types.mod input_section_types.mod gopt_f_types.mod force_env_types.mod distribution_1d_types.mod dimer_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod cp_log_handling.mod input_cp2k_restarts.mod particle_methods.mod machine.mod cp_units.mod input_constants.mod kinds.mod dimer_utils.mod qmmm_util.mod md_energies.mod motion_utils.mod virial_methods.mod base_hooks.mod qmmmx_util.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cg_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod global_types.mod gopt_param_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod cg_utils.mod space_groups.mod cp_log_handling.mod input_constants.mod gopt_f_methods.mod kinds.mod cp_output_handling.mod cp_external_control.mod base_hooks.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cg_optimizer.F cg_optimizer.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bfgs_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod atomic_kind_types.mod gopt_param_types.mod cp_fm_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod particle_list_types.mod cell_types.mod atomic_kind_list_types.mod space_groups_types.mod cp_log_handling.mod cp_output_handling.mod cp_external_control.mod cp_files.mod machine.mod cp_fm_struct.mod space_groups.mod input_constants.mod kinds.mod cp_fm_diag.mod constraint_fxd.mod cp_blacs_env.mod gopt_f_methods.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/bfgs_optimizer.F bfgs_optimizer.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_lbfgs_optimizer_gopt.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod gopt_param_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod cp_para_types.mod message_passing.mod cp_para_env.mod space_groups.mod cp_log_handling.mod gopt_f_methods.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_lbfgs.mod machine.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cg_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_lbfgs_optimizer_gopt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:31 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bfgs_optimizer.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_master.mod' due to: tmc_master.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod tmc_tree_types.mod tmc_types.mod cell_types.mod cp_log_handling.mod tmc_dot_tree.mod cp_external_control.mod tmc_messages.mod machine.mod tmc_cancelation.mod kinds.mod tmc_tree_build.mod tmc_calculations.mod tmc_move_handle.mod tmc_file_io.mod tmc_tree_acceptance.mod tmc_tree_search.mod base_hooks.mod tmc_stati.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:11 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_worker.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'input_cp2k_restarts.mod' due to: input_cp2k_restarts.o /build/reproducible-path/cp2k-2023.1/src/motion/input_cp2k_restarts.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod gle_system_types.mod molecule_list_types.mod extended_system_types.mod neb_types.mod simpar_types.mod md_environment_types.mod thermostat_types.mod atomic_kind_list_types.mod input_val_types.mod al_system_types.mod csvr_system_types.mod metadynamics_types.mod cp_para_types.mod helium_types.mod cp_subsys_types.mod pint_types.mod particle_types.mod particle_list_types.mod averages_types.mod parallel_rng_types.mod input_section_types.mod cp_linked_list_input.mod memory_utilities.mod string_utilities.mod message_passing.mod thermostat_utils.mod cp_log_handling.mod pint_transformations.mod input_restart_force_eval.mod kinds.mod input_constants.mod physcon.mod input_restart_rng.mod cp_output_handling.mod cp2k_info.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_worker.mod' due to: tmc_worker.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod cp_result_types.mod cp_para_types.mod cp_subsys_types.mod tmc_move_types.mod tmc_tree_types.mod tmc_analysis_types.mod force_env_types.mod tmc_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod tmc_analysis.mod tmc_moves.mod cp_external_control.mod tmc_messages.mod kinds.mod tmc_tree_build.mod cp_result_methods.mod tmc_calculations.mod tmc_move_handle.mod f77_interface.mod message_passing.mod tmc_tree_acceptance.mod base_hooks.mod tmc_stati.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_master.mod' due to: tmc_master.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_master.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod global_types.mod cp_para_types.mod cell_types.mod tmc_calculations.mod tmc_move_handle.mod tmc_tree_acceptance.mod cp_external_control.mod tmc_tree_build.mod tmc_dot_tree.mod cp_log_handling.mod tmc_stati.mod kinds.mod base_hooks.mod tmc_file_io.mod machine.mod tmc_messages.mod tmc_cancelation.mod tmc_tree_search.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_setup.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod cp_para_types.mod tmc_tree_types.mod input_section_types.mod tmc_analysis_types.mod tmc_types.mod bibliography.mod cp_log_handling.mod tmc_analysis.mod physcon.mod tmc_worker.mod environment.mod tmc_master.mod cp_files.mod machine.mod kinds.mod tmc_tree_build.mod header.mod tmc_move_handle.mod cp_para_env.mod f77_interface.mod message_passing.mod tmc_file_io.mod base_hooks.mod tmc_stati.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_setup.F tmc_setup.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation.mod' due to: rt_propagation.o /build/reproducible-path/cp2k-2023.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod qs_energy_types.mod qs_mo_types.mod cp_control_types.mod cp_para_types.mod pw_env_types.mod cp_fm_types.mod qs_ks_types.mod qs_environment_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod qs_kind_types.mod cell_types.mod rt_propagation_types.mod bibliography.mod cp_log_handling.mod rt_hfx_utils.mod rt_propagation_output.mod input_cp2k_restarts.mod cp_output_handling.mod cp_external_control.mod qs_dftb_matrices.mod machine.mod cp_fm_struct.mod force_env_methods.mod input_constants.mod kinds.mod qs_external_potential.mod rt_delta_pulse.mod rt_propagation_methods.mod rt_propagator_init.mod cp_blacs_env.mod qs_energy_init.mod rt_propagation_velocity_gauge.mod qs_ks_methods.mod rt_propagation_utils.mod base_hooks.mod efield_utils.mod -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:32 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_setup.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gopt_f_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod gopt_f_types.mod dimer_types.mod distribution_1d_types.mod atomic_kind_list_types.mod virial_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod gopt_param_types.mod cell_types.mod particle_list_types.mod input_section_types.mod virial_methods.mod cp_units.mod md_energies.mod dimer_utils.mod input_cp2k_restarts.mod cp_log_handling.mod qmmmx_util.mod qmmm_util.mod kinds.mod input_constants.mod base_hooks.mod motion_utils.mod particle_methods.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F gopt_f_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'rt_propagation.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod md_environment_types.mod qs_energy_types.mod qs_kind_types.mod qs_mo_types.mod global_types.mod cp_para_types.mod cell_types.mod rt_propagation_types.mod input_section_types.mod rt_hfx_utils.mod rt_propagation_output.mod cp_external_control.mod efield_utils.mod bibliography.mod qs_dftb_matrices.mod rt_propagator_init.mod force_env_methods.mod qs_energy_init.mod input_cp2k_restarts.mod cp_log_handling.mod rt_propagation_velocity_gauge.mod kinds.mod input_constants.mod rt_delta_pulse.mod rt_propagation_utils.mod cp_output_handling.mod base_hooks.mod rt_propagation_methods.mod cp_fm_struct.mod qs_external_potential.mod machine.mod cp_blacs_env.mod qs_ks_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/rt_propagation.F rt_propagation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gopt_f_methods.F90 /build/reproducible-path/cp2k-2023.1/src/motion/vibrational_analysis.F:611:79: 611 | polar_deriv(i, j, :) = MATMUL(tmp_polar(:, i, j, 1), D) @@ -64049,117 +64041,161 @@ | ^ note: 'tmp_dip.offset' was declared here /build/reproducible-path/cp2k-2023.1/src/motion/vibrational_analysis.F:128:80: Warning: 'tmp_dip.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_optimizer_gopt.F:343:29: +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_util.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_util.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod input_cp2k_restarts.mod cp_log_handling.mod kinds.mod md_energies.mod cp_files.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_util.F md_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' rt_propagation.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_io.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_io.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod neb_types.mod replica_types.mod input_keyword_types.mod particle_types.mod cell_types.mod input_enumeration_types.mod input_section_types.mod neb_md_utils.mod cp_files.mod cp_units.mod input_cp2k_neb.mod input_cp2k_restarts.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp2k_info.mod cp_output_handling.mod base_hooks.mod particle_methods.mod machine.mod header.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_io.F neb_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_io.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_worker.mod' due to: tmc_worker.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_worker.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod molecule_list_types.mod tmc_types.mod tmc_tree_types.mod tmc_analysis_types.mod cp_result_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod tmc_move_types.mod particle_list_types.mod tmc_calculations.mod tmc_move_handle.mod tmc_tree_acceptance.mod cp_external_control.mod cp_result_methods.mod tmc_tree_build.mod message_passing.mod tmc_moves.mod cp_log_handling.mod tmc_stati.mod kinds.mod f77_interface.mod base_hooks.mod tmc_messages.mod tmc_analysis.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tmc_setup.o' due to: /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod tmc_analysis_types.mod global_types.mod cp_para_types.mod parallel_rng_types.mod input_section_types.mod tmc_master.mod tmc_move_handle.mod environment.mod bibliography.mod cp_files.mod header.mod tmc_tree_build.mod tmc_worker.mod message_passing.mod cp_log_handling.mod tmc_stati.mod kinds.mod physcon.mod f77_interface.mod base_hooks.mod cp_para_env.mod tmc_file_io.mod machine.mod tmc_analysis.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_setup.F tmc_setup.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:15 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/tmc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tmc_setup.F90 +/build/reproducible-path/cp2k-2023.1/src/motion/neb_io.F:435:55: - 343 | SUBROUTINE cp_opt_gopt_get(optimizer, para_env, & - | ^ -Warning: 'cp_opt_gopt_get' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cg_optimizer.mod' due to: cg_optimizer.o /build/reproducible-path/cp2k-2023.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod global_types.mod gopt_param_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod cg_utils.mod space_groups.mod cp_log_handling.mod input_constants.mod gopt_f_methods.mod kinds.mod cp_output_handling.mod cp_external_control.mod base_hooks.mod machine.mod + 435 | logger%iter_info%project_name = replica_proj_name + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_util.mod' due to: md_util.o /build/reproducible-path/cp2k-2023.1/src/motion/md_util.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod message_passing.mod input_cp2k_restarts.mod cp_log_handling.mod kinds.mod md_energies.mod cp_files.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'shell_opt.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod atomic_kind_types.mod gopt_param_types.mod cp_subsys_types.mod shell_potential_types.mod input_section_types.mod gopt_f_types.mod force_env_types.mod distribution_1d_types.mod particle_types.mod atomic_kind_list_types.mod cp_log_handling.mod cp_output_handling.mod integrator_utils.mod input_constants.mod kinds.mod cg_optimizer.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/shell_opt.F shell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:33 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' shell_opt.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_setup.mod' due to: tmc_setup.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod cp_para_types.mod tmc_tree_types.mod input_section_types.mod tmc_analysis_types.mod tmc_types.mod bibliography.mod cp_log_handling.mod tmc_analysis.mod physcon.mod tmc_worker.mod environment.mod tmc_master.mod cp_files.mod machine.mod kinds.mod tmc_tree_build.mod header.mod tmc_move_handle.mod cp_para_env.mod f77_interface.mod message_passing.mod tmc_file_io.mod base_hooks.mod tmc_stati.mod +/build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F:999:14: + + 999 | CPASSERT((SIZE(x) == idg + 6)) + | ^ +Warning: 'idg' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F:963:73: + + 963 | INTEGER :: i, iatom, idg, j, natom, nparticle, & + | ^ +note: 'idg' was declared here +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_io.mod' due to: neb_io.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_io.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod neb_types.mod replica_types.mod input_keyword_types.mod particle_types.mod cell_types.mod input_enumeration_types.mod input_section_types.mod neb_md_utils.mod cp_files.mod cp_units.mod input_cp2k_neb.mod input_cp2k_restarts.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp2k_info.mod cp_output_handling.mod base_hooks.mod particle_methods.mod machine.mod header.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'gopt_f_methods.mod' due to: gopt_f_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod gopt_f_types.mod dimer_types.mod distribution_1d_types.mod atomic_kind_list_types.mod virial_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod gopt_param_types.mod cell_types.mod particle_list_types.mod input_section_types.mod virial_methods.mod cp_units.mod md_energies.mod dimer_utils.mod input_cp2k_restarts.mod cp_log_handling.mod qmmmx_util.mod qmmm_util.mod kinds.mod input_constants.mod base_hooks.mod motion_utils.mod particle_methods.mod machine.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cg_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod cell_types.mod gopt_param_types.mod gopt_f_types.mod space_groups_types.mod global_types.mod input_section_types.mod base_hooks.mod gopt_f_methods.mod cg_utils.mod cp_log_handling.mod machine.mod space_groups.mod kinds.mod cp_external_control.mod input_constants.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cg_optimizer.F cg_optimizer.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_lbfgs_optimizer_gopt.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod gopt_param_types.mod space_groups_types.mod gopt_f_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod gopt_f_methods.mod message_passing.mod cp_para_env.mod cp_log_handling.mod machine.mod cp_lbfgs.mod space_groups.mod kinds.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cg_optimizer.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'bfgs_optimizer.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod space_groups_types.mod atomic_kind_types.mod gopt_f_types.mod atomic_kind_list_types.mod input_section_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod gopt_param_types.mod cell_types.mod particle_list_types.mod cp_fm_types.mod parallel_gemm_api.mod constraint_fxd.mod cp_external_control.mod cp_files.mod gopt_f_methods.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod space_groups.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/bfgs_optimizer.F bfgs_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:16 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_lbfgs_optimizer_gopt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:17 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' bfgs_optimizer.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'rt_propagation.mod' due to: rt_propagation.o /build/reproducible-path/cp2k-2023.1/src/motion/rt_propagation.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod pw_env_types.mod qs_ks_types.mod qs_environment_types.mod cp_fm_types.mod cp_control_types.mod md_environment_types.mod qs_energy_types.mod qs_kind_types.mod qs_mo_types.mod global_types.mod cp_para_types.mod cell_types.mod rt_propagation_types.mod input_section_types.mod rt_hfx_utils.mod rt_propagation_output.mod cp_external_control.mod efield_utils.mod bibliography.mod qs_dftb_matrices.mod rt_propagator_init.mod force_env_methods.mod qs_energy_init.mod input_cp2k_restarts.mod cp_log_handling.mod rt_propagation_velocity_gauge.mod kinds.mod input_constants.mod rt_delta_pulse.mod rt_propagation_utils.mod cp_output_handling.mod base_hooks.mod rt_propagation_methods.mod cp_fm_struct.mod qs_external_potential.mod machine.mod cp_blacs_env.mod qs_ks_methods.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tmc_setup.mod' due to: tmc_setup.o /build/reproducible-path/cp2k-2023.1/src/tmc/tmc_setup.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod tmc_analysis_types.mod global_types.mod cp_para_types.mod parallel_rng_types.mod input_section_types.mod tmc_master.mod tmc_move_handle.mod environment.mod bibliography.mod cp_files.mod header.mod tmc_tree_build.mod tmc_worker.mod message_passing.mod cp_log_handling.mod tmc_stati.mod kinds.mod physcon.mod f77_interface.mod base_hooks.mod cp_para_env.mod tmc_file_io.mod machine.mod tmc_analysis.mod true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a' due to: tmc_worker.o tmc_utils.o tmc_types.o tmc_tree_types.o tmc_tree_search.o tmc_tree_references.o tmc_tree_build.o tmc_tree_acceptance.o tmc_stati.o tmc_setup.o tmc_moves.o tmc_move_types.o tmc_move_handle.o tmc_messages.o tmc_master.o tmc_file_io.o tmc_dot_tree.o tmc_cancelation.o tmc_calculations.o tmc_analysis_types.o tmc_analysis.o input_cp2k_tmc.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a tmc_worker.o tmc_utils.o tmc_types.o tmc_tree_types.o tmc_tree_search.o tmc_tree_references.o tmc_tree_build.o tmc_tree_acceptance.o tmc_stati.o tmc_setup.o tmc_moves.o tmc_move_types.o tmc_move_handle.o tmc_messages.o tmc_master.o tmc_file_io.o tmc_dot_tree.o tmc_cancelation.o tmc_calculations.o tmc_analysis_types.o tmc_analysis.o input_cp2k_tmc.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'shell_opt.mod' due to: shell_opt.o /build/reproducible-path/cp2k-2023.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod atomic_kind_types.mod gopt_param_types.mod cp_subsys_types.mod shell_potential_types.mod input_section_types.mod gopt_f_types.mod force_env_types.mod distribution_1d_types.mod particle_types.mod atomic_kind_list_types.mod cp_log_handling.mod cp_output_handling.mod integrator_utils.mod input_constants.mod kinds.mod cg_optimizer.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_optimizer_gopt.F:343:29: + + 343 | SUBROUTINE cp_opt_gopt_get(optimizer, para_env, & + | ^ +Warning: 'cp_opt_gopt_get' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'vibrational_analysis.mod' due to: vibrational_analysis.o /build/reproducible-path/cp2k-2023.1/src/motion/vibrational_analysis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod cp_fm_types.mod replica_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod particle_list_types.mod input_section_types.mod grrm_utils.mod cp_result_methods.mod scine_utils.mod mathconstants.mod mathlib.mod util.mod replica_methods.mod molden_utils.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp_output_handling.mod motion_utils.mod base_hooks.mod cp_fm_struct.mod particle_methods.mod cp_blacs_env.mod header.mod mode_selective.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cg_optimizer.mod' due to: cg_optimizer.o /build/reproducible-path/cp2k-2023.1/src/motion/cg_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod cell_types.mod gopt_param_types.mod gopt_f_types.mod space_groups_types.mod global_types.mod input_section_types.mod base_hooks.mod gopt_f_methods.mod cg_utils.mod cp_log_handling.mod machine.mod space_groups.mod kinds.mod cp_external_control.mod input_constants.mod cp_output_handling.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'shell_opt.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod gopt_f_types.mod shell_potential_types.mod distribution_1d_types.mod atomic_kind_list_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod gopt_param_types.mod input_section_types.mod integrator_utils.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cg_optimizer.mod cp_output_handling.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/shell_opt.F shell_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:18 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' shell_opt.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'shell_opt.mod' due to: shell_opt.o /build/reproducible-path/cp2k-2023.1/src/motion/shell_opt.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod gopt_f_types.mod shell_potential_types.mod distribution_1d_types.mod atomic_kind_list_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod gopt_param_types.mod input_section_types.mod integrator_utils.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod cg_optimizer.mod cp_output_handling.mod base_hooks.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'integrator.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/integrator.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod global_types.mod virial_types.mod barostat_types.mod thermal_region_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod cp_subsys_types.mod qs_environment_types.mod molecule_kind_list_types.mod md_environment_types.mod extended_system_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod rt_propagation_types.mod reftraj_types.mod cp_log_handling.mod physcon.mod shell_opt.mod rt_propagation_output.mod constraint_util.mod metadynamics.mod reftraj_util.mod string_utilities.mod cp_units.mod qmmmx_update.mod cp_parser_methods.mod integrator_utils.mod force_env_methods.mod input_constants.mod constraint.mod kinds.mod qmmm_util.mod rt_propagation_methods.mod constraint_fxd.mod eigenvalueproblems.mod thermostat_methods.mod virial_methods.mod extended_system_dynamics.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'integrator.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/integrator.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod qs_environment_types.mod extended_system_types.mod distribution_1d_types.mod reftraj_types.mod simpar_types.mod cp_control_types.mod md_environment_types.mod thermostat_types.mod atomic_kind_list_types.mod thermal_region_types.mod virial_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod barostat_types.mod rt_propagation_types.mod constraint_fxd.mod rt_propagation_output.mod virial_methods.mod extended_system_dynamics.mod string_utilities.mod constraint_util.mod cp_units.mod cp_parser_methods.mod thermostat_methods.mod integrator_utils.mod metadynamics.mod qmmmx_update.mod constraint.mod force_env_methods.mod eigenvalueproblems.mod cp_log_handling.mod qmmm_util.mod kinds.mod reftraj_util.mod input_constants.mod physcon.mod base_hooks.mod rt_propagation_methods.mod shell_opt.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/integrator.F integrator.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_vel_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod thermal_region_types.mod parallel_rng_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod cp_subsys_types.mod shell_potential_types.mod molecule_kind_list_types.mod md_environment_types.mod input_section_types.mod extended_system_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod md_ener_types.mod cell_types.mod particle_types.mod input_val_types.mod atomic_kind_list_types.mod bibliography.mod cp_linked_list_input.mod input_cp2k_binary_restarts.mod cp_log_handling.mod physcon.mod shell_opt.mod cp_output_handling.mod mathlib.mod cp_units.mod force_env_methods.mod input_constants.mod kinds.mod md_util.mod mathconstants.mod input_restart_force_eval.mod base_hooks.mod force_env_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_vel_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod shell_potential_types.mod extended_system_types.mod simpar_types.mod md_environment_types.mod atomic_kind_list_types.mod input_val_types.mod thermal_region_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod md_ener_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod parallel_rng_types.mod input_section_types.mod input_cp2k_binary_restarts.mod bibliography.mod cp_units.mod md_util.mod mathconstants.mod force_env_methods.mod mathlib.mod force_env_utils.mod cp_log_handling.mod input_restart_force_eval.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod shell_opt.mod cp_linked_list_input.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_vel_utils.F md_vel_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' integrator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:34 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_vel_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bfgs_optimizer.mod' due to: bfgs_optimizer.o /build/reproducible-path/cp2k-2023.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod atomic_kind_types.mod gopt_param_types.mod cp_fm_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod particle_list_types.mod cell_types.mod atomic_kind_list_types.mod space_groups_types.mod cp_log_handling.mod cp_output_handling.mod cp_external_control.mod cp_files.mod machine.mod cp_fm_struct.mod space_groups.mod input_constants.mod kinds.mod cp_fm_diag.mod constraint_fxd.mod cp_blacs_env.mod gopt_f_methods.mod cp_fm_basic_linalg.mod message_passing.mod parallel_gemm_api.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' integrator.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:19 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_vel_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'bfgs_optimizer.mod' due to: bfgs_optimizer.o /build/reproducible-path/cp2k-2023.1/src/motion/bfgs_optimizer.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod space_groups_types.mod atomic_kind_types.mod gopt_f_types.mod atomic_kind_list_types.mod input_section_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod gopt_param_types.mod cell_types.mod particle_list_types.mod cp_fm_types.mod parallel_gemm_api.mod constraint_fxd.mod cp_external_control.mod cp_files.mod gopt_f_methods.mod message_passing.mod cp_fm_basic_linalg.mod cp_log_handling.mod kinds.mod input_constants.mod cp_output_handling.mod base_hooks.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_fm_diag.mod space_groups.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'vibrational_analysis.mod' due to: vibrational_analysis.o /build/reproducible-path/cp2k-2023.1/src/motion/vibrational_analysis.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod cp_subsys_types.mod replica_types.mod molecule_kind_list_types.mod input_section_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod particle_types.mod replica_methods.mod cp_log_handling.mod physcon.mod molden_utils.mod cp_output_handling.mod particle_methods.mod cp_fm_struct.mod mathlib.mod scine_utils.mod input_constants.mod kinds.mod cp_result_methods.mod mode_selective.mod motion_utils.mod header.mod mathconstants.mod cp_blacs_env.mod util.mod f77_interface.mod base_hooks.mod grrm_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_worm.mod' due to: helium_worm.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 pint_types.mod helium_types.mod base_hooks.mod helium_io.mod mathconstants.mod helium_interactions.mod helium_common.mod input_constants.mod kinds.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_lbfgs_optimizer_gopt.mod' due to: cp_lbfgs_optimizer_gopt.o /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 space_groups_types.mod gopt_param_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod cp_para_types.mod message_passing.mod cp_para_env.mod space_groups.mod cp_log_handling.mod gopt_f_methods.mod kinds.mod cp_output_handling.mod base_hooks.mod cp_lbfgs.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_sampling.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod helium_types.mod pint_types.mod splines_types.mod helium_worm.mod pint_public.mod cp_external_control.mod helium_io.mod helium_common.mod message_passing.mod input_cp2k_restarts.mod cp_log_handling.mod helium_interactions.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod machine.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_sampling.F helium_sampling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:21 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_sampling.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_lbfgs_optimizer_gopt.mod' due to: cp_lbfgs_optimizer_gopt.o /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod gopt_param_types.mod space_groups_types.mod gopt_f_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod gopt_f_methods.mod message_passing.mod cp_para_env.mod cp_log_handling.mod machine.mod cp_lbfgs.mod space_groups.mod kinds.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_lbfgs_geo.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod gopt_param_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod cp_para_types.mod space_groups_types.mod space_groups.mod cp_log_handling.mod input_constants.mod cp_lbfgs_optimizer_gopt.mod gopt_f_methods.mod kinds.mod cp_output_handling.mod cp_external_control.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp_lbfgs_geo.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod gopt_param_types.mod cell_types.mod space_groups_types.mod gopt_f_types.mod global_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod gopt_f_methods.mod cp_lbfgs_optimizer_gopt.mod cp_log_handling.mod space_groups.mod input_constants.mod kinds.mod cp_external_control.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:37 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_lbfgs_geo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:22 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp_lbfgs_geo.F90 /build/reproducible-path/cp2k-2023.1/src/motion/md_vel_utils.F:706:24: 706 | rescale_regions, shellvel_explicit, shellvel_read | ^ Warning: 'rescale_regions' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_lbfgs_geo.mod' due to: cp_lbfgs_geo.o /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod gopt_param_types.mod cp_subsys_types.mod cell_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod cp_para_types.mod space_groups_types.mod space_groups.mod cp_log_handling.mod input_constants.mod cp_lbfgs_optimizer_gopt.mod gopt_f_methods.mod kinds.mod cp_output_handling.mod cp_external_control.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp_lbfgs_geo.mod' due to: cp_lbfgs_geo.o /build/reproducible-path/cp2k-2023.1/src/motion/cp_lbfgs_geo.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod gopt_param_types.mod cell_types.mod space_groups_types.mod gopt_f_types.mod global_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod gopt_f_methods.mod cp_lbfgs_optimizer_gopt.mod cp_log_handling.mod space_groups.mod input_constants.mod kinds.mod cp_external_control.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'geo_opt.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod gopt_param_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod bfgs_optimizer.mod cg_optimizer.mod cp_log_handling.mod input_constants.mod cp_lbfgs_geo.mod gopt_f_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'geo_opt.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod gopt_param_types.mod gopt_f_types.mod global_types.mod input_section_types.mod base_hooks.mod cp_lbfgs_geo.mod bfgs_optimizer.mod gopt_f_methods.mod cp_log_handling.mod kinds.mod input_constants.mod cg_optimizer.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/geo_opt.F geo_opt.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_opt.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod gopt_param_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod bfgs_optimizer.mod cg_optimizer.mod cp_log_handling.mod input_constants.mod cp_lbfgs_geo.mod gopt_f_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cell_opt.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod gopt_param_types.mod gopt_f_types.mod global_types.mod input_section_types.mod base_hooks.mod cp_lbfgs_geo.mod bfgs_optimizer.mod gopt_f_methods.mod cp_log_handling.mod kinds.mod input_constants.mod cg_optimizer.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt.F cell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' geo_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_opt.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_worm.mod' due to: helium_worm.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_worm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 helium_types.mod pint_types.mod helium_common.mod helium_io.mod mathconstants.mod helium_interactions.mod input_constants.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_sampling.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod splines_types.mod helium_types.mod pint_types.mod helium_io.mod helium_worm.mod cp_log_handling.mod physcon.mod pint_public.mod input_cp2k_restarts.mod cp_output_handling.mod cp_external_control.mod machine.mod helium_interactions.mod input_constants.mod kinds.mod helium_common.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_sampling.F helium_sampling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:38 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_sampling.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_vel_utils.mod' due to: md_vel_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod thermal_region_types.mod parallel_rng_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod cp_subsys_types.mod shell_potential_types.mod molecule_kind_list_types.mod md_environment_types.mod input_section_types.mod extended_system_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod md_ener_types.mod cell_types.mod particle_types.mod input_val_types.mod atomic_kind_list_types.mod bibliography.mod cp_linked_list_input.mod input_cp2k_binary_restarts.mod cp_log_handling.mod physcon.mod shell_opt.mod cp_output_handling.mod mathlib.mod cp_units.mod force_env_methods.mod input_constants.mod kinds.mod md_util.mod mathconstants.mod input_restart_force_eval.mod base_hooks.mod force_env_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' geo_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:23 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cell_opt.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_vel_utils.mod' due to: md_vel_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/md_vel_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod shell_potential_types.mod extended_system_types.mod simpar_types.mod md_environment_types.mod atomic_kind_list_types.mod input_val_types.mod thermal_region_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod md_ener_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod parallel_rng_types.mod input_section_types.mod input_cp2k_binary_restarts.mod bibliography.mod cp_units.mod md_util.mod mathconstants.mod force_env_methods.mod mathlib.mod force_env_utils.mod cp_log_handling.mod input_restart_force_eval.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod shell_opt.mod cp_linked_list_input.mod true /build/reproducible-path/cp2k-2023.1/src/motion/integrator.F:400:65: 400 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: v_old | ^ Warning: 'v_old.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'geo_opt.mod' due to: geo_opt.o /build/reproducible-path/cp2k-2023.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod gopt_param_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod bfgs_optimizer.mod cg_optimizer.mod cp_log_handling.mod input_constants.mod cp_lbfgs_geo.mod gopt_f_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'geo_opt.mod' due to: geo_opt.o /build/reproducible-path/cp2k-2023.1/src/motion/geo_opt.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod gopt_param_types.mod gopt_f_types.mod global_types.mod input_section_types.mod base_hooks.mod cp_lbfgs_geo.mod bfgs_optimizer.mod gopt_f_methods.mod cp_log_handling.mod kinds.mod input_constants.mod cg_optimizer.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dimer_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod gopt_f_types.mod force_env_types.mod dimer_types.mod particle_list_types.mod motion_utils.mod bibliography.mod cp_log_handling.mod geo_opt.mod force_env_methods.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod dimer_utils.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'dimer_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod input_section_types.mod gopt_f_types.mod particle_list_types.mod dimer_types.mod base_hooks.mod dimer_utils.mod motion_utils.mod cp_log_handling.mod geo_opt.mod kinds.mod input_constants.mod bibliography.mod force_env_methods.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/dimer_methods.F dimer_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_opt.mod' due to: cell_opt.o /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod gopt_param_types.mod input_section_types.mod force_env_types.mod gopt_f_types.mod bfgs_optimizer.mod cg_optimizer.mod cp_log_handling.mod input_constants.mod cp_lbfgs_geo.mod gopt_f_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cell_opt.mod' due to: cell_opt.o /build/reproducible-path/cp2k-2023.1/src/motion/cell_opt.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod gopt_param_types.mod gopt_f_types.mod global_types.mod input_section_types.mod base_hooks.mod cp_lbfgs_geo.mod bfgs_optimizer.mod gopt_f_methods.mod cp_log_handling.mod kinds.mod input_constants.mod cg_optimizer.mod cp_output_handling.mod true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dimer_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'integrator.mod' due to: integrator.o /build/reproducible-path/cp2k-2023.1/src/motion/integrator.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod global_types.mod virial_types.mod barostat_types.mod thermal_region_types.mod cp_control_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod cp_subsys_types.mod qs_environment_types.mod molecule_kind_list_types.mod md_environment_types.mod extended_system_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod rt_propagation_types.mod reftraj_types.mod cp_log_handling.mod physcon.mod shell_opt.mod rt_propagation_output.mod constraint_util.mod metadynamics.mod reftraj_util.mod string_utilities.mod cp_units.mod qmmmx_update.mod cp_parser_methods.mod integrator_utils.mod force_env_methods.mod input_constants.mod constraint.mod kinds.mod qmmm_util.mod rt_propagation_methods.mod constraint_fxd.mod eigenvalueproblems.mod thermostat_methods.mod virial_methods.mod extended_system_dynamics.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' dimer_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'integrator.mod' due to: integrator.o /build/reproducible-path/cp2k-2023.1/src/motion/integrator.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod qs_environment_types.mod extended_system_types.mod distribution_1d_types.mod reftraj_types.mod simpar_types.mod cp_control_types.mod md_environment_types.mod thermostat_types.mod atomic_kind_list_types.mod thermal_region_types.mod virial_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod particle_list_types.mod barostat_types.mod rt_propagation_types.mod constraint_fxd.mod rt_propagation_output.mod virial_methods.mod extended_system_dynamics.mod string_utilities.mod constraint_util.mod cp_units.mod cp_parser_methods.mod thermostat_methods.mod integrator_utils.mod metadynamics.mod qmmmx_update.mod constraint.mod force_env_methods.mod eigenvalueproblems.mod cp_log_handling.mod qmmm_util.mod kinds.mod reftraj_util.mod input_constants.mod physcon.mod base_hooks.mod rt_propagation_methods.mod shell_opt.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'velocity_verlet_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod md_environment_types.mod simpar_types.mod force_env_types.mod input_constants.mod integrator.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'velocity_verlet_control.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod force_env_types.mod global_types.mod simpar_types.mod base_hooks.mod integrator.mod input_constants.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/velocity_verlet_control.F velocity_verlet_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:39 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' velocity_verlet_control.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'velocity_verlet_control.mod' due to: velocity_verlet_control.o /build/reproducible-path/cp2k-2023.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod md_environment_types.mod simpar_types.mod force_env_types.mod input_constants.mod integrator.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:24 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' velocity_verlet_control.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'velocity_verlet_control.mod' due to: velocity_verlet_control.o /build/reproducible-path/cp2k-2023.1/src/motion/velocity_verlet_control.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 md_environment_types.mod force_env_types.mod global_types.mod simpar_types.mod base_hooks.mod integrator.mod input_constants.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_run.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_run.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod virial_types.mod barostat_types.mod thermal_region_types.mod free_energy_types.mod cp_para_types.mod metadynamics_types.mod simpar_types.mod thermostat_types.mod cp_subsys_types.mod mdctrl_types.mod averages_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod distribution_1d_types.mod particle_list_types.mod md_ener_types.mod cell_types.mod atomic_kind_list_types.mod reftraj_types.mod cp_log_handling.mod mdctrl_methods.mod md_vel_utils.mod cp_output_handling.mod cp_external_control.mod metadynamics.mod velocity_verlet_control.mod wiener_process.mod input_cp2k_check.mod machine.mod reftraj_util.mod rt_propagation.mod force_env_methods.mod input_constants.mod kinds.mod md_util.mod md_energies.mod thermostat_methods.mod virial_methods.mod free_energy_methods.mod thermal_region_utils.mod simpar_methods.mod base_hooks.mod qs_environment_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'md_run.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/md_run.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod distribution_1d_types.mod reftraj_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod atomic_kind_list_types.mod thermal_region_types.mod virial_types.mod global_types.mod metadynamics_types.mod cp_para_types.mod md_ener_types.mod cp_subsys_types.mod mdctrl_types.mod cell_types.mod free_energy_types.mod particle_list_types.mod barostat_types.mod averages_types.mod input_section_types.mod virial_methods.mod cp_external_control.mod velocity_verlet_control.mod md_util.mod thermal_region_utils.mod thermostat_methods.mod metadynamics.mod md_energies.mod force_env_methods.mod free_energy_methods.mod cp_log_handling.mod rt_propagation.mod kinds.mod reftraj_util.mod input_cp2k_check.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_environment_methods.mod md_vel_utils.mod machine.mod mdctrl_methods.mod simpar_methods.mod wiener_process.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/md_run.F md_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:40 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_run.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dimer_methods.mod' due to: dimer_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod input_section_types.mod gopt_f_types.mod force_env_types.mod dimer_types.mod particle_list_types.mod motion_utils.mod bibliography.mod cp_log_handling.mod geo_opt.mod force_env_methods.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod dimer_utils.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:25 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' md_run.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'dimer_methods.mod' due to: dimer_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/dimer_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod force_env_types.mod input_section_types.mod gopt_f_types.mod particle_list_types.mod dimer_types.mod base_hooks.mod dimer_utils.mod motion_utils.mod cp_log_handling.mod geo_opt.mod kinds.mod input_constants.mod bibliography.mod force_env_methods.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_run.mod' due to: md_run.o /build/reproducible-path/cp2k-2023.1/src/motion/md_run.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod virial_types.mod barostat_types.mod thermal_region_types.mod free_energy_types.mod cp_para_types.mod metadynamics_types.mod simpar_types.mod thermostat_types.mod cp_subsys_types.mod mdctrl_types.mod averages_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod distribution_1d_types.mod particle_list_types.mod md_ener_types.mod cell_types.mod atomic_kind_list_types.mod reftraj_types.mod cp_log_handling.mod mdctrl_methods.mod md_vel_utils.mod cp_output_handling.mod cp_external_control.mod metadynamics.mod velocity_verlet_control.mod wiener_process.mod input_cp2k_check.mod machine.mod reftraj_util.mod rt_propagation.mod force_env_methods.mod input_constants.mod kinds.mod md_util.mod md_energies.mod thermostat_methods.mod virial_methods.mod free_energy_methods.mod thermal_region_utils.mod simpar_methods.mod base_hooks.mod qs_environment_methods.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_sampling.mod' due to: helium_sampling.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod helium_types.mod pint_types.mod splines_types.mod helium_worm.mod pint_public.mod cp_external_control.mod helium_io.mod helium_common.mod message_passing.mod input_cp2k_restarts.mod cp_log_handling.mod helium_interactions.mod kinds.mod input_constants.mod physcon.mod cp_output_handling.mod base_hooks.mod machine.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod global_types.mod cp_para_types.mod neb_types.mod replica_types.mod input_section_types.mod force_env_types.mod particle_types.mod replica_methods.mod bibliography.mod colvar_utils.mod cp_log_handling.mod geo_opt.mod neb_md_utils.mod physcon.mod cp_output_handling.mod input_cp2k_check.mod neb_io.mod cp_parser_methods.mod force_env_methods.mod input_constants.mod kinds.mod f77_interface.mod md_run.mod rmsd.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod helium_types.mod cp_subsys_types.mod pint_types.mod cell_types.mod splines_types.mod particle_list_types.mod parallel_rng_types.mod input_section_types.mod helium_sampling.mod pint_public.mod bibliography.mod cp_files.mod helium_io.mod mathconstants.mod helium_common.mod message_passing.mod cp_log_handling.mod helium_interactions.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp_output_handling.mod base_hooks.mod splines_methods.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_methods.F helium_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:26 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'md_run.mod' due to: md_run.o /build/reproducible-path/cp2k-2023.1/src/motion/md_run.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod distribution_1d_types.mod reftraj_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod atomic_kind_list_types.mod thermal_region_types.mod virial_types.mod global_types.mod metadynamics_types.mod cp_para_types.mod md_ener_types.mod cp_subsys_types.mod mdctrl_types.mod cell_types.mod free_energy_types.mod particle_list_types.mod barostat_types.mod averages_types.mod input_section_types.mod virial_methods.mod cp_external_control.mod velocity_verlet_control.mod md_util.mod thermal_region_utils.mod thermostat_methods.mod metadynamics.mod md_energies.mod force_env_methods.mod free_energy_methods.mod cp_log_handling.mod rt_propagation.mod kinds.mod reftraj_util.mod input_cp2k_check.mod input_constants.mod cp_output_handling.mod base_hooks.mod qs_environment_methods.mod md_vel_utils.mod machine.mod mdctrl_methods.mod simpar_methods.mod wiener_process.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod cp_parser_types.mod neb_types.mod replica_types.mod global_types.mod cp_para_types.mod particle_types.mod input_section_types.mod neb_md_utils.mod rmsd.mod bibliography.mod md_run.mod neb_io.mod geo_opt.mod cp_parser_methods.mod force_env_methods.mod replica_methods.mod cp_log_handling.mod kinds.mod input_cp2k_check.mod input_constants.mod physcon.mod f77_interface.mod cp_output_handling.mod base_hooks.mod colvar_utils.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_utils.F neb_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gopt_f77_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f77_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 virial_types.mod cp_para_types.mod cp_subsys_types.mod averages_types.mod input_section_types.mod gopt_f_types.mod force_env_types.mod particle_list_types.mod cell_types.mod space_groups_types.mod bibliography.mod cp_log_handling.mod geo_opt.mod particle_methods.mod dimer_methods.mod space_groups.mod cell_opt_utils.mod force_env_methods.mod input_constants.mod kinds.mod cell_methods.mod gopt_f_methods.mod message_passing.mod virial_methods.mod md_run.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'gopt_f77_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f77_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod space_groups_types.mod gopt_f_types.mod virial_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod averages_types.mod input_section_types.mod virial_methods.mod bibliography.mod cell_opt_utils.mod gopt_f_methods.mod md_run.mod geo_opt.mod dimer_methods.mod cell_methods.mod force_env_methods.mod message_passing.mod cp_log_handling.mod kinds.mod input_constants.mod base_hooks.mod particle_methods.mod space_groups.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/gopt_f77_methods.F gopt_f77_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_utils.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_worker.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod input_section_types.mod force_env_types.mod cp_subsys_types.mod mdctrl_types.mod swarm_message.mod md_run.mod geo_opt.mod physcon.mod kinds.mod base_hooks.mod f77_interface.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_worker.F glbopt_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:43 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gopt_f77_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_moves.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod mc_types.mod atomic_kind_types.mod cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod physcon.mod mc_coordinates.mod force_env_methods.mod kinds.mod mathconstants.mod message_passing.mod md_run.mod base_hooks.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_moves.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod molecule_kind_types.mod global_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod md_run.mod mathconstants.mod force_env_methods.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod base_hooks.mod mc_coordinates.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_moves.F mc_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_worker.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tamc_run.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod global_types.mod virial_types.mod barostat_types.mod thermal_region_types.mod parallel_rng_types.mod mc_types.mod cp_para_types.mod free_energy_types.mod mc_environment_types.mod metadynamics_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod cp_subsys_types.mod qs_environment_types.mod averages_types.mod molecule_kind_list_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod md_ener_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod colvar_types.mod reftraj_types.mod bibliography.mod mc_move_control.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_external_control.mod input_cp2k_restarts.mod input_cp2k_check.mod machine.mod reftraj_util.mod string_utilities.mod wiener_process.mod cp_units.mod force_env_methods.mod input_constants.mod kinds.mod qmmm_util.mod md_energies.mod colvar_methods.mod constraint_fxd.mod qs_scf_post_gpw.mod message_passing.mod thermostat_methods.mod virial_methods.mod md_run.mod thermal_region_utils.mod reference_manager.mod simpar_methods.mod base_hooks.mod mc_misc.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' gopt_f77_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'tamc_run.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod qs_environment_types.mod distribution_1d_types.mod reftraj_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod atomic_kind_list_types.mod thermal_region_types.mod virial_types.mod molecule_kind_types.mod global_types.mod metadynamics_types.mod colvar_types.mod cp_para_types.mod md_ener_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod free_energy_types.mod mc_environment_types.mod particle_list_types.mod barostat_types.mod mc_types.mod averages_types.mod parallel_rng_types.mod input_section_types.mod mc_move_control.mod colvar_methods.mod constraint_fxd.mod reference_manager.mod virial_methods.mod cp_external_control.mod bibliography.mod string_utilities.mod cp_units.mod md_run.mod qs_scf_post_gpw.mod thermal_region_utils.mod thermostat_methods.mod md_energies.mod force_env_methods.mod mc_misc.mod message_passing.mod input_cp2k_restarts.mod cp_log_handling.mod qmmm_util.mod kinds.mod reftraj_util.mod input_constants.mod input_cp2k_check.mod physcon.mod cp_output_handling.mod base_hooks.mod machine.mod simpar_methods.mod wiener_process.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/tamc_run.F tamc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:44 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tamc_run.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_sampling.mod' due to: helium_sampling.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_sampling.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod splines_types.mod helium_types.mod pint_types.mod helium_io.mod helium_worm.mod cp_log_handling.mod physcon.mod pint_public.mod input_cp2k_restarts.mod cp_output_handling.mod cp_external_control.mod machine.mod helium_interactions.mod input_constants.mod kinds.mod helium_common.mod message_passing.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_worker.mod' due to: glbopt_worker.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod input_section_types.mod force_env_types.mod cp_subsys_types.mod mdctrl_types.mod swarm_message.mod md_run.mod geo_opt.mod physcon.mod kinds.mod base_hooks.mod f77_interface.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_moves.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'glbopt_worker.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod mdctrl_types.mod force_env_types.mod global_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod md_run.mod geo_opt.mod swarm_message.mod kinds.mod physcon.mod f77_interface.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_worker.F glbopt_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:28 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' tamc_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:29 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' glbopt_worker.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'glbopt_worker.mod' due to: glbopt_worker.o /build/reproducible-path/cp2k-2023.1/src/swarm/glbopt_worker.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_subsys_types.mod mdctrl_types.mod force_env_types.mod global_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod md_run.mod geo_opt.mod swarm_message.mod kinds.mod physcon.mod f77_interface.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'helium_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod splines_types.mod atomic_kind_types.mod cp_subsys_types.mod helium_types.mod pint_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod helium_io.mod bibliography.mod cp_log_handling.mod physcon.mod pint_public.mod cp_output_handling.mod cp_files.mod splines_methods.mod helium_interactions.mod input_constants.mod kinds.mod mathconstants.mod helium_sampling.mod f77_interface.mod helium_common.mod message_passing.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/helium_methods.F helium_methods.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_worker.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod swarm_message.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod glbopt_worker.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm_worker.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod base_hooks.mod glbopt_worker.mod cp_log_handling.mod swarm_message.mod kinds.mod input_constants.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_worker.F swarm_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' helium_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:46 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_worker.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_worker.mod' due to: swarm_worker.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod swarm_message.mod cp_log_handling.mod input_constants.mod kinds.mod base_hooks.mod cp_output_handling.mod glbopt_worker.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:30 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm_worker.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm_worker.mod' due to: swarm_worker.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm_worker.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod base_hooks.mod glbopt_worker.mod cp_log_handling.mod swarm_message.mod kinds.mod input_constants.mod cp_output_handling.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod input_section_types.mod cp_para_types.mod swarm_worker.mod swarm_master.mod swarm_message.mod cp_log_handling.mod swarm_mpi.mod kinds.mod base_hooks.mod cp_output_handling.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'swarm.o' due to: /build/reproducible-path/cp2k-2023.1/src/swarm/swarm.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod swarm_worker.mod cp_log_handling.mod swarm_mpi.mod swarm_message.mod kinds.mod swarm_master.mod cp_output_handling.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/swarm/swarm.F swarm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:48 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm.mod' due to: swarm.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod input_section_types.mod cp_para_types.mod swarm_worker.mod swarm_master.mod swarm_message.mod cp_log_handling.mod swarm_mpi.mod kinds.mod base_hooks.mod cp_output_handling.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:32 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/swarm/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' swarm.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'swarm.mod' due to: swarm.o /build/reproducible-path/cp2k-2023.1/src/swarm/swarm.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod swarm_worker.mod cp_log_handling.mod swarm_mpi.mod swarm_message.mod kinds.mod swarm_master.mod cp_output_handling.mod true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kswarm.a' due to: swarm_worker.o swarm_mpi.o swarm_message.o swarm_master.o swarm_input.o swarm.o glbopt_worker.o glbopt_minhop.o glbopt_mincrawl.o glbopt_master.o glbopt_input.o glbopt_history.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kswarm.a" @@ -64171,33 +64207,13 @@ 482 | forces%wrk(:, 1) = tmp_a ! Image A | ^ Warning: 'tmp_a.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tamc_run.mod' due to: tamc_run.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod atomic_kind_types.mod molecule_list_types.mod qs_environment_types.mod distribution_1d_types.mod reftraj_types.mod simpar_types.mod thermostat_types.mod md_environment_types.mod atomic_kind_list_types.mod thermal_region_types.mod virial_types.mod molecule_kind_types.mod global_types.mod metadynamics_types.mod colvar_types.mod cp_para_types.mod md_ener_types.mod cp_subsys_types.mod particle_types.mod cell_types.mod free_energy_types.mod mc_environment_types.mod particle_list_types.mod barostat_types.mod mc_types.mod averages_types.mod parallel_rng_types.mod input_section_types.mod mc_move_control.mod colvar_methods.mod constraint_fxd.mod reference_manager.mod virial_methods.mod cp_external_control.mod bibliography.mod string_utilities.mod cp_units.mod md_run.mod qs_scf_post_gpw.mod thermal_region_utils.mod thermostat_methods.mod md_energies.mod force_env_methods.mod mc_misc.mod message_passing.mod input_cp2k_restarts.mod cp_log_handling.mod qmmm_util.mod kinds.mod reftraj_util.mod input_constants.mod input_cp2k_check.mod physcon.mod cp_output_handling.mod base_hooks.mod machine.mod simpar_methods.mod wiener_process.mod +true /build/reproducible-path/cp2k-2023.1/src/motion/neb_utils.F:380:74: 380 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: tangent, tmp_a, tmp_b | ^ note: 'tmp_a.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_moves.mod' due to: mc_moves.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod mc_types.mod atomic_kind_types.mod cp_subsys_types.mod molecule_kind_list_types.mod force_env_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod cp_log_handling.mod physcon.mod mc_coordinates.mod force_env_methods.mod kinds.mod mathconstants.mod message_passing.mod md_run.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_ensembles.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod mc_types.mod cp_para_types.mod mc_environment_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod mc_move_control.mod cp_log_handling.mod physcon.mod cp_external_control.mod mc_coordinates.mod cp_files.mod machine.mod particle_methods.mod cp_units.mod mc_control.mod force_env_methods.mod input_constants.mod kinds.mod mathconstants.mod mc_ge_moves.mod mc_moves.mod message_passing.mod base_hooks.mod mc_misc.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ensembles.F mc_ensembles.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:51 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_ensembles.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'tamc_run.mod' due to: tamc_run.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/tamc_run.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod global_types.mod virial_types.mod barostat_types.mod thermal_region_types.mod parallel_rng_types.mod mc_types.mod cp_para_types.mod free_energy_types.mod mc_environment_types.mod metadynamics_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod thermostat_types.mod cp_subsys_types.mod qs_environment_types.mod averages_types.mod molecule_kind_list_types.mod md_environment_types.mod input_section_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod md_ener_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod colvar_types.mod reftraj_types.mod bibliography.mod mc_move_control.mod cp_log_handling.mod physcon.mod cp_output_handling.mod cp_external_control.mod input_cp2k_restarts.mod input_cp2k_check.mod machine.mod reftraj_util.mod string_utilities.mod wiener_process.mod cp_units.mod force_env_methods.mod input_constants.mod kinds.mod qmmm_util.mod md_energies.mod colvar_methods.mod constraint_fxd.mod qs_scf_post_gpw.mod message_passing.mod thermostat_methods.mod virial_methods.mod md_run.mod thermal_region_utils.mod reference_manager.mod simpar_methods.mod base_hooks.mod mc_misc.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_utils.mod' due to: neb_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod global_types.mod cp_para_types.mod neb_types.mod replica_types.mod input_section_types.mod force_env_types.mod particle_types.mod replica_methods.mod bibliography.mod colvar_utils.mod cp_log_handling.mod geo_opt.mod neb_md_utils.mod physcon.mod cp_output_handling.mod input_cp2k_check.mod neb_io.mod cp_parser_methods.mod force_env_methods.mod input_constants.mod kinds.mod f77_interface.mod md_run.mod rmsd.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_opt_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_opt_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod neb_types.mod replica_types.mod neb_utils.mod cp_log_handling.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_opt_utils.F neb_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:54 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_opt_utils.F90 -/build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ensembles.F:143:54: - - 143 | start_atom_swap, start_atom_target, start_mol - | ^ -Warning: 'start_mol' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_opt_utils.mod' due to: neb_opt_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_opt_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod particle_types.mod neb_types.mod replica_types.mod neb_utils.mod cp_log_handling.mod kinds.mod base_hooks.mod -true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod cp_subsys_types.mod neb_types.mod replica_types.mod input_section_types.mod force_env_types.mod particle_types.mod replica_methods.mod colvar_utils.mod neb_utils.mod cp_log_handling.mod neb_md_utils.mod physcon.mod cp_output_handling.mod cp_external_control.mod neb_io.mod input_constants.mod kinds.mod neb_opt_utils.mod header.mod f77_interface.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_methods.F neb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:41:57 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_methods.F90 /build/reproducible-path/cp2k-2023.1/src/motion/helium_methods.F:440:16: 440 | IF (expl_pot) THEN @@ -64208,18 +64224,48 @@ 121 | expl_pot, explicit, ltmp | ^ note: 'expl_pot' was declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_ensembles.mod' due to: mc_ensembles.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod parallel_rng_types.mod mc_types.mod cp_para_types.mod mc_environment_types.mod cp_subsys_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod mc_move_control.mod cp_log_handling.mod physcon.mod cp_external_control.mod mc_coordinates.mod cp_files.mod machine.mod particle_methods.mod cp_units.mod mc_control.mod force_env_methods.mod input_constants.mod kinds.mod mathconstants.mod mc_ge_moves.mod mc_moves.mod message_passing.mod base_hooks.mod mc_misc.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_moves.mod' due to: mc_moves.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_moves.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod atomic_kind_types.mod molecule_kind_types.mod global_types.mod cp_subsys_types.mod cell_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod md_run.mod mathconstants.mod force_env_methods.mod message_passing.mod cp_log_handling.mod kinds.mod physcon.mod base_hooks.mod mc_coordinates.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_run.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod input_section_types.mod parallel_rng_types.mod mc_environment_types.mod force_env_types.mod mc_types.mod cp_para_types.mod mc_control.mod cp_log_handling.mod mc_ensembles.mod physcon.mod kinds.mod base_hooks.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_run.F mc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:01 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_run.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_methods.mod' due to: neb_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod cp_para_types.mod cp_subsys_types.mod neb_types.mod replica_types.mod input_section_types.mod force_env_types.mod particle_types.mod replica_methods.mod colvar_utils.mod neb_utils.mod cp_log_handling.mod neb_md_utils.mod physcon.mod cp_output_handling.mod cp_external_control.mod neb_io.mod input_constants.mod kinds.mod neb_opt_utils.mod header.mod f77_interface.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_ensembles.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod mc_environment_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod mc_move_control.mod mc_moves.mod cp_external_control.mod cp_files.mod cp_units.mod mathconstants.mod force_env_methods.mod mc_misc.mod message_passing.mod mc_ge_moves.mod cp_log_handling.mod kinds.mod input_constants.mod mc_control.mod physcon.mod base_hooks.mod particle_methods.mod machine.mod mc_coordinates.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ensembles.F mc_ensembles.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:37 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_ensembles.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_utils.mod' due to: neb_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod cp_parser_types.mod neb_types.mod replica_types.mod global_types.mod cp_para_types.mod particle_types.mod input_section_types.mod neb_md_utils.mod rmsd.mod bibliography.mod md_run.mod neb_io.mod geo_opt.mod cp_parser_methods.mod force_env_methods.mod replica_methods.mod cp_log_handling.mod kinds.mod input_cp2k_check.mod input_constants.mod physcon.mod f77_interface.mod cp_output_handling.mod base_hooks.mod colvar_utils.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_methods.mod' due to: helium_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 parallel_rng_types.mod splines_types.mod atomic_kind_types.mod cp_subsys_types.mod helium_types.mod pint_types.mod input_section_types.mod force_env_types.mod particle_list_types.mod cell_types.mod helium_io.mod bibliography.mod cp_log_handling.mod physcon.mod pint_public.mod cp_output_handling.mod cp_files.mod splines_methods.mod helium_interactions.mod input_constants.mod kinds.mod mathconstants.mod helium_sampling.mod f77_interface.mod helium_common.mod message_passing.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_opt_utils.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_opt_utils.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod replica_types.mod neb_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod neb_utils.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_opt_utils.F neb_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_opt_utils.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'helium_methods.mod' due to: helium_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/helium_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod atomic_kind_types.mod helium_types.mod cp_subsys_types.mod pint_types.mod cell_types.mod splines_types.mod particle_list_types.mod parallel_rng_types.mod input_section_types.mod helium_sampling.mod pint_public.mod bibliography.mod cp_files.mod helium_io.mod mathconstants.mod helium_common.mod message_passing.mod cp_log_handling.mod helium_interactions.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp_output_handling.mod base_hooks.mod splines_methods.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod global_types.mod gle_system_types.mod parallel_rng_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod cp_subsys_types.mod replica_types.mod helium_types.mod molecule_kind_list_types.mod pint_types.mod input_section_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod helium_io.mod replica_methods.mod bibliography.mod pint_qtb.mod cp_log_handling.mod pint_gle.mod pint_public.mod pint_pile.mod cp_output_handling.mod cp_external_control.mod constraint_util.mod input_cp2k_restarts.mod machine.mod pint_transformations.mod mathlib.mod cp_units.mod helium_methods.mod helium_interactions.mod gle_system_dynamics.mod input_constants.mod pint_normalmode.mod constraint.mod pint_staging.mod kinds.mod mathconstants.mod pint_io.mod helium_sampling.mod f77_interface.mod message_passing.mod pint_piglet.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'pint_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod gle_system_types.mod atomic_kind_types.mod molecule_list_types.mod distribution_1d_types.mod simpar_types.mod atomic_kind_list_types.mod replica_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod helium_types.mod cp_subsys_types.mod pint_types.mod particle_types.mod cell_types.mod particle_list_types.mod parallel_rng_types.mod input_section_types.mod pint_normalmode.mod pint_io.mod helium_sampling.mod pint_public.mod cp_external_control.mod bibliography.mod constraint_util.mod cp_units.mod helium_io.mod pint_qtb.mod gle_system_dynamics.mod mathconstants.mod constraint.mod mathlib.mod pint_gle.mod pint_pile.mod helium_methods.mod replica_methods.mod message_passing.mod input_cp2k_restarts.mod cp_log_handling.mod pint_transformations.mod helium_interactions.mod kinds.mod input_constants.mod f77_interface.mod cp_output_handling.mod base_hooks.mod machine.mod pint_staging.mod pint_piglet.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F pint_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:02 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:38 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' pint_methods.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_opt_utils.mod' due to: neb_opt_utils.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_opt_utils.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 particle_types.mod replica_types.mod neb_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod kinds.mod neb_utils.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'neb_methods.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/neb_methods.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod neb_types.mod replica_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod input_section_types.mod neb_md_utils.mod neb_opt_utils.mod cp_external_control.mod neb_io.mod replica_methods.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp_output_handling.mod base_hooks.mod neb_utils.mod colvar_utils.mod header.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/neb_methods.F neb_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ensembles.F:143:54: + + 143 | start_atom_swap, start_atom_target, start_mol + | ^ +Warning: 'start_mol' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:40 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' neb_methods.F90 +/build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F:792:23: + + 792 | SUBROUTINE pint_test(para_env, input, input_declaration) + | ^ +Warning: 'pint_test' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'neb_methods.mod' due to: neb_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/neb_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod neb_types.mod replica_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod particle_types.mod input_section_types.mod neb_md_utils.mod neb_opt_utils.mod cp_external_control.mod neb_io.mod replica_methods.mod cp_log_handling.mod kinds.mod input_constants.mod physcon.mod f77_interface.mod cp_output_handling.mod base_hooks.mod neb_utils.mod colvar_utils.mod header.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_ensembles.mod' due to: mc_ensembles.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_ensembles.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod cell_types.mod mc_environment_types.mod particle_list_types.mod mc_types.mod parallel_rng_types.mod input_section_types.mod mc_move_control.mod mc_moves.mod cp_external_control.mod cp_files.mod cp_units.mod mathconstants.mod force_env_methods.mod mc_misc.mod message_passing.mod mc_ge_moves.mod cp_log_handling.mod kinds.mod input_constants.mod mc_control.mod physcon.mod base_hooks.mod particle_methods.mod machine.mod mc_coordinates.mod +true +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'mc_run.o' due to: /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod parallel_rng_types.mod mc_environment_types.mod global_types.mod mc_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod physcon.mod mc_ensembles.mod kinds.mod mc_control.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_run.F mc_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:43 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/motion/mc/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' mc_run.F90 +/build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F:1202:89: + + 1202 | itmp, j, n_rep_val, nparticle, & + | ^ +Warning: 'nparticle' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_run.F:171:36: 171 | ALLOCATE (force_env(1:nboxes)) @@ -64230,23 +64276,13 @@ 111 | INTEGER :: box_number, ibox, isos, iw, nboxes, & | ^ note: 'nboxes' declared here -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_run.mod' due to: mc_run.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 global_types.mod input_section_types.mod parallel_rng_types.mod mc_environment_types.mod force_env_types.mod mc_types.mod cp_para_types.mod mc_control.mod cp_log_handling.mod mc_ensembles.mod physcon.mod kinds.mod base_hooks.mod +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'mc_run.mod' due to: mc_run.o /build/reproducible-path/cp2k-2023.1/src/motion/mc/mc_run.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod parallel_rng_types.mod mc_environment_types.mod global_types.mod mc_types.mod cp_para_types.mod input_section_types.mod base_hooks.mod cp_log_handling.mod physcon.mod mc_ensembles.mod kinds.mod mc_control.mod true /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmc.a' due to: tamc_run.o mc_types.o mc_run.o mc_moves.o mc_move_control.o mc_misc.o mc_ge_moves.o mc_environment_types.o mc_ensembles.o mc_coordinates.o mc_control.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmc.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmc.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmc.a tamc_run.o mc_types.o mc_run.o mc_moves.o mc_move_control.o mc_misc.o mc_ge_moves.o mc_environment_types.o mc_ensembles.o mc_coordinates.o mc_control.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmc.a -/build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F:792:23: - - 792 | SUBROUTINE pint_test(para_env, input, input_declaration) - | ^ -Warning: 'pint_test' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F:1202:89: - - 1202 | itmp, j, n_rep_val, nparticle, & - | ^ -Warning: 'nparticle' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F:1935:90: 1935 | iresp, j, k, nbeads, nparticle, & @@ -64264,40 +64300,40 @@ note: 'factor' was declared here /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a' due to: wiener_process.o vibrational_analysis.o velocity_verlet_control.o thermal_region_utils.o thermal_region_types.o space_groups_types.o space_groups.o simpar_methods.o shell_opt.o rt_propagation.o reftraj_util.o reftraj_types.o pint_types.o pint_transformations.o pint_staging.o pint_qtb.o pint_public.o pint_pile.o pint_piglet.o pint_normalmode.o pint_methods.o pint_io.o pint_gle.o neb_utils.o neb_types.o neb_opt_utils.o neb_methods.o neb_md_utils.o neb_io.o mdctrl_methods.o md_vel_utils.o md_util.o md_run.o md_environment_types.o md_energies.o md_ener_types.o md_conserved_quantities.o integrator_utils.o integrator.o input_cp2k_vib.o input_cp2k_restarts.o input_cp2k_md.o helium_worm.o helium_types.o helium_sampling.o helium_methods.o helium_io.o helium_interactions.o helium_common.o gopt_param_types.o gopt_f_types.o gopt_f_methods.o gopt_f77_methods.o glbopt_callback.o geo_opt.o free_energy_methods.o dimer_utils.o dimer_types.o dimer_methods.o cp_lbfgs_optimizer_gopt.o cp_lbfgs_geo.o cp_lbfgs.o cg_utils.o cg_optimizer.o cell_opt_utils.o cell_opt_types.o cell_opt.o bfgs_optimizer.o averages_types.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a" -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_methods.mod' due to: pint_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_list_types.mod global_types.mod gle_system_types.mod parallel_rng_types.mod cp_para_types.mod atomic_kind_types.mod simpar_types.mod molecule_types.mod cp_subsys_types.mod replica_types.mod helium_types.mod molecule_kind_list_types.mod pint_types.mod input_section_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cell_types.mod particle_types.mod atomic_kind_list_types.mod helium_io.mod replica_methods.mod bibliography.mod pint_qtb.mod cp_log_handling.mod pint_gle.mod pint_public.mod pint_pile.mod cp_output_handling.mod cp_external_control.mod constraint_util.mod input_cp2k_restarts.mod machine.mod pint_transformations.mod mathlib.mod cp_units.mod helium_methods.mod helium_interactions.mod gle_system_dynamics.mod input_constants.mod pint_normalmode.mod constraint.mod pint_staging.mod kinds.mod mathconstants.mod pint_io.mod helium_sampling.mod f77_interface.mod message_passing.mod pint_piglet.mod base_hooks.mod -true Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'pint_methods.mod' due to: pint_methods.o /build/reproducible-path/cp2k-2023.1/src/motion/pint_methods.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 molecule_kind_list_types.mod force_env_types.mod molecule_types.mod gle_system_types.mod atomic_kind_types.mod molecule_list_types.mod distribution_1d_types.mod simpar_types.mod atomic_kind_list_types.mod replica_types.mod molecule_kind_types.mod global_types.mod cp_para_types.mod helium_types.mod cp_subsys_types.mod pint_types.mod particle_types.mod cell_types.mod particle_list_types.mod parallel_rng_types.mod input_section_types.mod pint_normalmode.mod pint_io.mod helium_sampling.mod pint_public.mod cp_external_control.mod bibliography.mod constraint_util.mod cp_units.mod helium_io.mod pint_qtb.mod gle_system_dynamics.mod mathconstants.mod constraint.mod mathlib.mod pint_gle.mod pint_pile.mod helium_methods.mod replica_methods.mod message_passing.mod input_cp2k_restarts.mod cp_log_handling.mod pint_transformations.mod helium_interactions.mod kinds.mod input_constants.mod f77_interface.mod cp_output_handling.mod base_hooks.mod machine.mod pint_staging.mod pint_piglet.mod +true ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a wiener_process.o vibrational_analysis.o velocity_verlet_control.o thermal_region_utils.o thermal_region_types.o space_groups_types.o space_groups.o simpar_methods.o shell_opt.o rt_propagation.o reftraj_util.o reftraj_types.o pint_types.o pint_transformations.o pint_staging.o pint_qtb.o pint_public.o pint_pile.o pint_piglet.o pint_normalmode.o pint_methods.o pint_io.o pint_gle.o neb_utils.o neb_types.o neb_opt_utils.o neb_methods.o neb_md_utils.o neb_io.o mdctrl_methods.o md_vel_utils.o md_util.o md_run.o md_environment_types.o md_energies.o md_ener_types.o md_conserved_quantities.o integrator_utils.o integrator.o input_cp2k_vib.o input_cp2k_restarts.o input_cp2k_md.o helium_worm.o helium_types.o helium_sampling.o helium_methods.o helium_io.o helium_interactions.o helium_common.o gopt_param_types.o gopt_f_types.o gopt_f_methods.o gopt_f77_methods.o glbopt_callback.o geo_opt.o free_energy_methods.o dimer_utils.o dimer_types.o dimer_methods.o cp_lbfgs_optimizer_gopt.o cp_lbfgs_geo.o cp_lbfgs.o cg_utils.o cg_optimizer.o cell_opt_utils.o cell_opt_types.o cell_opt.o bfgs_optimizer.o averages_types.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k_runs.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod global_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod farming_types.mod input_keyword_types.mod swarm.mod bibliography.mod dbm_api.mod mc_run.mod tamc_run.mod cp_log_handling.mod geo_opt.mod library_tests.mod optimize_input.mod qs_tddfpt_module.mod tmc_setup.mod environment.mod cp_output_handling.mod cp_files.mod input_cp2k_check.mod machine.mod string_utilities.mod rt_propagation.mod cp_units.mod cp_parser_methods.mod sirius_interface.mod input_cp2k_read.mod pw_fpga.mod farming_methods.mod force_env_methods.mod input_constants.mod ipi_driver.mod kinds.mod pw_gpu.mod input_cp2k.mod offload_api.mod optimize_basis.mod mscfg_methods.mod cp2k_debug.mod cp_para_env.mod qs_linres_module.mod atom.mod grid_api.mod negf_methods.mod f77_interface.mod input_cp2k_global.mod input_parsing.mod pint_methods.mod bsse.mod message_passing.mod vibrational_analysis.mod md_run.mod cp_dbcsr_cp2k_link.mod reference_manager.mod cell_opt.mod base_hooks.mod neb_methods.mod cp2k_info.mod -/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/cp2k_runs.F cp2k_runs.F90 /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:152: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dumpdcd.psmp' due to: dumpdcd.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dumpdcd.psmp dumpdcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k_runs.F90 +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:51 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/dumpdcd.psmp dumpdcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:148: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/xyz2dcd.psmp' due to: xyz2dcd.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:16 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/xyz2dcd.psmp xyz2dcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp2k_runs.mod' due to: cp2k_runs.o /build/reproducible-path/cp2k-2023.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_parser_types.mod global_types.mod cp_control_types.mod cp_para_types.mod qs_environment_types.mod input_section_types.mod force_env_types.mod farming_types.mod input_keyword_types.mod swarm.mod bibliography.mod dbm_api.mod mc_run.mod tamc_run.mod cp_log_handling.mod geo_opt.mod library_tests.mod optimize_input.mod qs_tddfpt_module.mod tmc_setup.mod environment.mod cp_output_handling.mod cp_files.mod input_cp2k_check.mod machine.mod string_utilities.mod rt_propagation.mod cp_units.mod cp_parser_methods.mod sirius_interface.mod input_cp2k_read.mod pw_fpga.mod farming_methods.mod force_env_methods.mod input_constants.mod ipi_driver.mod kinds.mod pw_gpu.mod input_cp2k.mod offload_api.mod optimize_basis.mod mscfg_methods.mod cp2k_debug.mod cp_para_env.mod qs_linres_module.mod atom.mod grid_api.mod negf_methods.mod f77_interface.mod input_cp2k_global.mod input_parsing.mod pint_methods.mod bsse.mod message_passing.mod vibrational_analysis.mod md_run.mod cp_dbcsr_cp2k_link.mod reference_manager.mod cell_opt.mod base_hooks.mod neb_methods.mod cp2k_info.mod +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/xyz2dcd.psmp xyz2dcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k_runs.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod cp_parser_types.mod qs_environment_types.mod cp_control_types.mod farming_types.mod global_types.mod cp_para_types.mod input_keyword_types.mod input_section_types.mod reference_manager.mod dbm_api.mod pw_fpga.mod mscfg_methods.mod farming_methods.mod cp_dbcsr_cp2k_link.mod qs_linres_module.mod cell_opt.mod environment.mod cp2k_debug.mod neb_methods.mod atom.mod negf_methods.mod bibliography.mod cp_files.mod tmc_setup.mod vibrational_analysis.mod string_utilities.mod cp_units.mod md_run.mod geo_opt.mod cp_parser_methods.mod bsse.mod force_env_methods.mod grid_api.mod qs_tddfpt_module.mod input_cp2k_read.mod input_cp2k.mod message_passing.mod cp_log_handling.mod offload_api.mod rt_propagation.mod kinds.mod sirius_interface.mod input_constants.mod input_cp2k_check.mod optimize_input.mod input_parsing.mod cp_output_handling.mod cp2k_info.mod f77_interface.mod input_cp2k_global.mod ipi_driver.mod optimize_basis.mod pw_gpu.mod base_hooks.mod cp_para_env.mod mc_run.mod machine.mod library_tests.mod tamc_run.mod pint_methods.mod swarm.mod +/build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/cp2k_runs.F cp2k_runs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:52 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k_runs.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp2k_runs.mod' due to: cp2k_runs.o /build/reproducible-path/cp2k-2023.1/src/start/cp2k_runs.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod cp_parser_types.mod qs_environment_types.mod cp_control_types.mod farming_types.mod global_types.mod cp_para_types.mod input_keyword_types.mod input_section_types.mod reference_manager.mod dbm_api.mod pw_fpga.mod mscfg_methods.mod farming_methods.mod cp_dbcsr_cp2k_link.mod qs_linres_module.mod cell_opt.mod environment.mod cp2k_debug.mod neb_methods.mod atom.mod negf_methods.mod bibliography.mod cp_files.mod tmc_setup.mod vibrational_analysis.mod string_utilities.mod cp_units.mod md_run.mod geo_opt.mod cp_parser_methods.mod bsse.mod force_env_methods.mod grid_api.mod qs_tddfpt_module.mod input_cp2k_read.mod input_cp2k.mod message_passing.mod cp_log_handling.mod offload_api.mod rt_propagation.mod kinds.mod sirius_interface.mod input_constants.mod input_cp2k_check.mod optimize_input.mod input_parsing.mod cp_output_handling.mod cp2k_info.mod f77_interface.mod input_cp2k_global.mod ipi_driver.mod optimize_basis.mod pw_gpu.mod base_hooks.mod cp_para_env.mod mc_run.mod machine.mod library_tests.mod tamc_run.mod pint_methods.mod swarm.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k_shell.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod message_passing.mod f77_interface.mod string_utilities.mod cp2k_runs.mod cp_log_handling.mod input_cp2k_read.mod physcon.mod kinds.mod base_hooks.mod cp2k_info.mod cp_files.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k_shell.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod cp2k_info.mod base_hooks.mod input_cp2k_read.mod string_utilities.mod message_passing.mod cp2k_runs.mod cp_log_handling.mod physcon.mod machine.mod kinds.mod cp_files.mod f77_interface.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/cp2k_shell.F cp2k_shell.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'libcp2k.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/libcp2k.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod force_env_types.mod qs_active_space_types.mod input_cp2k.mod message_passing.mod string_utilities.mod cp2k_info.mod cp2k_runs.mod input_cp2k_read.mod kinds.mod base_hooks.mod f77_interface.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'libcp2k.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/libcp2k.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 force_env_types.mod input_section_types.mod qs_environment_types.mod qs_active_space_types.mod qs_mo_types.mod cp_fm_types.mod cp2k_info.mod base_hooks.mod input_cp2k_read.mod input_cp2k.mod string_utilities.mod message_passing.mod cp2k_runs.mod kinds.mod f77_interface.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/libcp2k.F libcp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k_shell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:21 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' libcp2k.F90 -/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp2k_shell.mod' due to: cp2k_shell.o /build/reproducible-path/cp2k-2023.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod message_passing.mod f77_interface.mod string_utilities.mod cp2k_runs.mod cp_log_handling.mod input_cp2k_read.mod physcon.mod kinds.mod base_hooks.mod cp2k_info.mod cp_files.mod machine.mod +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k_shell.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:44:58 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' libcp2k.F90 +/build/reproducible-path/cp2k-2023.1/Makefile:565: update target 'cp2k_shell.mod' due to: cp2k_shell.o /build/reproducible-path/cp2k-2023.1/src/start/cp2k_shell.F /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 cp_para_types.mod input_section_types.mod cp2k_info.mod base_hooks.mod input_cp2k_read.mod string_utilities.mod message_passing.mod cp2k_runs.mod cp_log_handling.mod physcon.mod machine.mod kinds.mod cp_files.mod f77_interface.mod true -/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/cp2k.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod input_cp2k.mod f77_interface.mod cp2k_shell.mod cp2k_runs.mod kinds.mod base_hooks.mod cp2k_info.mod cp_files.mod machine.mod +/build/reproducible-path/cp2k-2023.1/Makefile:518: update target 'cp2k.o' due to: /build/reproducible-path/cp2k-2023.1/src/start/cp2k.F /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/reproducible-path/cp2k-2023.1/src/base/base_uses.f90 input_section_types.mod cp2k_info.mod base_hooks.mod input_cp2k.mod cp2k_runs.mod machine.mod kinds.mod cp2k_shell.mod cp_files.mod f77_interface.mod /build/reproducible-path/cp2k-2023.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2023.1/src/start/cp2k.F cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:45:01 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-2023.1/src/start/' -I'/build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/exts/dbcsr' cp2k.F90 /build/reproducible-path/cp2k-2023.1/Makefile:547: update target '/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a' due to: libcp2k.o input_cp2k_motion.o input_cp2k.o cp2k_shell.o cp2k_runs.o echo "Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a" Updating archive /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a ar -r /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a libcp2k.o input_cp2k_motion.o input_cp2k.o cp2k_shell.o cp2k_runs.o ar: creating /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:176: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/libcp2k_unittest.psmp' due to: libcp2k_unittest.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kswarm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:23 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/libcp2k_unittest.psmp libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:45:02 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/libcp2k_unittest.psmp libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2023.1/obj/Linux-aarch64-gfortran/psmp/all.dep:140: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/cp2k.psmp' due to: cp2k.o /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kswarm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Mon Jan 8 06:42:24 2024\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/cp2k.psmp cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sun Feb 9 13:45:03 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:b888bd8\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/cp2k.psmp cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/build/reproducible-path/cp2k-2023.1/lib/Linux-aarch64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2023.1/Makefile:253: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/cp2k_shell.psmp' due to: /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/cp2k.psmp cd /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran; ln -sf cp2k.psmp cp2k_shell.psmp /build/reproducible-path/cp2k-2023.1/Makefile:250: update target '/build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/cp2k.popt' due to: /build/reproducible-path/cp2k-2023.1/exe/Linux-aarch64-gfortran/cp2k.psmp @@ -64367,12 +64403,12 @@ -restrictdir TAMC/regtest) ./do_regtest: line 620: ps: command not found *************************** testing started ****************************** - started on Mon Jan 8 06:42:36 2024 + started on Sun Feb 9 13:45:16 2025 configuration: Linux-aarch64-gfortran-psmp - regtesting location summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36 + regtesting location summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16 regtesting location last dir: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//LAST-Linux-aarch64-gfortran-psmp ---------------------------- Settings ------------------------------------ maxtasks = 2 @@ -64464,11 +64500,11 @@ MSGQUEUE max bytes in POSIX mqueues 819200 819200 bytes NICE max nice prio allowed to raise 0 0 NOFILE max number of open files 1024 1048576 files -NPROC max number of processes 127860 127860 processes +NPROC max number of processes 127886 127886 processes RSS max resident set size unlimited unlimited bytes RTPRIO max real-time priority 0 0 RTTIME timeout for real-time tasks unlimited unlimited microsecs -SIGPENDING max number of pending signals 127860 127860 signals +SIGPENDING max number of pending signals 127886 127886 signals STACK max stack size 8388608 unlimited bytes --------------------------- SELinux -------------------------------------- No SELinux installation found @@ -64478,33 +64514,33 @@ ------------------------ regtesting cp2k --------------------------------- ------------------------- dynamic libraries linked ----------------------- ldd /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..///exe/Linux-aarch64-gfortran/cp2k.psmp : - linux-vdso.so.1 (0x0000ffffb9e5e000) - liblapack.so.3 => /usr/lib/aarch64-linux-gnu/liblapack.so.3 (0x0000ffffb7250000) - libblas.so.3 => /usr/lib/aarch64-linux-gnu/libblas.so.3 (0x0000ffffb71d0000) - libfftw3.so.3 => /usr/lib/aarch64-linux-gnu/libfftw3.so.3 (0x0000ffffb70f0000) - libfftw3_threads.so.3 => /usr/lib/aarch64-linux-gnu/libfftw3_threads.so.3 (0x0000ffffb70c0000) - libint2.so.2 => /usr/lib/aarch64-linux-gnu/libint2.so.2 (0x0000ffffb5760000) - libxc.so.9 => /usr/lib/aarch64-linux-gnu/libxc.so.9 (0x0000ffffb4fd0000) - libxcf03.so.9 => /usr/lib/aarch64-linux-gnu/libxcf03.so.9 (0x0000ffffb4fa0000) - libsymspg.so.1 => /usr/lib/aarch64-linux-gnu/libsymspg.so.1 (0x0000ffffb4dd0000) - libmpi_mpifh.so.40 => /usr/lib/aarch64-linux-gnu/libmpi_mpifh.so.40 (0x0000ffffb4d40000) - libscalapack-openmpi.so.2.2 => /usr/lib/aarch64-linux-gnu/libscalapack-openmpi.so.2.2 (0x0000ffffb48d0000) - libelpa.so.19 => /usr/lib/aarch64-linux-gnu/libelpa.so.19 (0x0000ffffb47a0000) - libgfortran.so.5 => /usr/lib/aarch64-linux-gnu/libgfortran.so.5 (0x0000ffffb4620000) - libm.so.6 => /lib/aarch64-linux-gnu/libm.so.6 (0x0000ffffb4580000) - libgomp.so.1 => /usr/lib/aarch64-linux-gnu/libgomp.so.1 (0x0000ffffb4510000) - libgcc_s.so.1 => /lib/aarch64-linux-gnu/libgcc_s.so.1 (0x0000ffffb44d0000) - libc.so.6 => /lib/aarch64-linux-gnu/libc.so.6 (0x0000ffffb4320000) - /lib/ld-linux-aarch64.so.1 (0x0000ffffb9e21000) - libstdc++.so.6 => /usr/lib/aarch64-linux-gnu/libstdc++.so.6 (0x0000ffffb4100000) - libmpi.so.40 => /usr/lib/aarch64-linux-gnu/libmpi.so.40 (0x0000ffffb3fa0000) - libopen-pal.so.40 => /usr/lib/aarch64-linux-gnu/libopen-pal.so.40 (0x0000ffffb3ed0000) - libopen-rte.so.40 => /usr/lib/aarch64-linux-gnu/libopen-rte.so.40 (0x0000ffffb3df0000) - libhwloc.so.15 => /usr/lib/aarch64-linux-gnu/libhwloc.so.15 (0x0000ffffb3d70000) - libevent_core-2.1.so.7 => /usr/lib/aarch64-linux-gnu/libevent_core-2.1.so.7 (0x0000ffffb3d10000) - libevent_pthreads-2.1.so.7 => /usr/lib/aarch64-linux-gnu/libevent_pthreads-2.1.so.7 (0x0000ffffb3ce0000) - libz.so.1 => /lib/aarch64-linux-gnu/libz.so.1 (0x0000ffffb3ca0000) - libudev.so.1 => /usr/lib/aarch64-linux-gnu/libudev.so.1 (0x0000ffffb3c50000) + linux-vdso.so.1 (0x0000ffff896e5000) + liblapack.so.3 => /usr/lib/aarch64-linux-gnu/liblapack.so.3 (0x0000ffff86ad0000) + libblas.so.3 => /usr/lib/aarch64-linux-gnu/libblas.so.3 (0x0000ffff86a50000) + libfftw3.so.3 => /usr/lib/aarch64-linux-gnu/libfftw3.so.3 (0x0000ffff86970000) + libfftw3_threads.so.3 => /usr/lib/aarch64-linux-gnu/libfftw3_threads.so.3 (0x0000ffff86940000) + libint2.so.2 => /usr/lib/aarch64-linux-gnu/libint2.so.2 (0x0000ffff84fe0000) + libxc.so.9 => /usr/lib/aarch64-linux-gnu/libxc.so.9 (0x0000ffff84850000) + libxcf03.so.9 => /usr/lib/aarch64-linux-gnu/libxcf03.so.9 (0x0000ffff84820000) + libsymspg.so.1 => /usr/lib/aarch64-linux-gnu/libsymspg.so.1 (0x0000ffff84650000) + libmpi_mpifh.so.40 => /usr/lib/aarch64-linux-gnu/libmpi_mpifh.so.40 (0x0000ffff845c0000) + libscalapack-openmpi.so.2.2 => /usr/lib/aarch64-linux-gnu/libscalapack-openmpi.so.2.2 (0x0000ffff84150000) + libelpa.so.19 => /usr/lib/aarch64-linux-gnu/libelpa.so.19 (0x0000ffff84020000) + libgfortran.so.5 => /usr/lib/aarch64-linux-gnu/libgfortran.so.5 (0x0000ffff83ea0000) + libm.so.6 => /lib/aarch64-linux-gnu/libm.so.6 (0x0000ffff83e00000) + libgomp.so.1 => /usr/lib/aarch64-linux-gnu/libgomp.so.1 (0x0000ffff83d90000) + libgcc_s.so.1 => /lib/aarch64-linux-gnu/libgcc_s.so.1 (0x0000ffff83d50000) + libc.so.6 => /lib/aarch64-linux-gnu/libc.so.6 (0x0000ffff83ba0000) + /lib/ld-linux-aarch64.so.1 (0x0000ffff896a8000) + libstdc++.so.6 => /usr/lib/aarch64-linux-gnu/libstdc++.so.6 (0x0000ffff83980000) + libmpi.so.40 => /usr/lib/aarch64-linux-gnu/libmpi.so.40 (0x0000ffff83820000) + libopen-pal.so.40 => /usr/lib/aarch64-linux-gnu/libopen-pal.so.40 (0x0000ffff83750000) + libopen-rte.so.40 => /usr/lib/aarch64-linux-gnu/libopen-rte.so.40 (0x0000ffff83670000) + libhwloc.so.15 => /usr/lib/aarch64-linux-gnu/libhwloc.so.15 (0x0000ffff835f0000) + libevent_core-2.1.so.7 => /usr/lib/aarch64-linux-gnu/libevent_core-2.1.so.7 (0x0000ffff83590000) + libevent_pthreads-2.1.so.7 => /usr/lib/aarch64-linux-gnu/libevent_pthreads-2.1.so.7 (0x0000ffff83560000) + libz.so.1 => /lib/aarch64-linux-gnu/libz.so.1 (0x0000ffff83520000) + libudev.so.1 => /usr/lib/aarch64-linux-gnu/libudev.so.1 (0x0000ffff834d0000) -------------------------------------------------------------------------- Copying tests into working directory ... done! CP2K supports: cp2kflags: omp libint fftw3 libxc elpa parallel scalapack spglib @@ -64525,7 +64561,7 @@ Skipping QS/regtest-cdft-3 : missing required feature : mpiranks%2==0 Skipping Fist/regtest-plumed2 : missing required feature : plumed2 Skipping Fist/regtest-quip : missing required feature : quip -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ri-rpa (1 of 51) +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ri-rpa (1 of 51) Running RI_RPA_H2O.inp Running RI_RPA_H2O_overlap_metric.inp Running RI_RPA_CH3.inp @@ -64537,20 +64573,20 @@ Running RI_RPA_H2O_Obara_Saika.inp Running RI_RPA_H2O_svd.inp Running RI_RPA_H2O_overlap_metric_svd.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ri-rpa - RI_RPA_H2O.inp -17.145691221376172 OK ( 17.86 sec) - RI_RPA_H2O_overlap_metric.inp -17.145538849244275 OK ( 24.12 sec) - RI_RPA_CH3.inp -7.415612316029158 OK ( 29.90 sec) - RI_RPA_H2O_SYRK.inp -17.145691221376186 OK ( 17.88 sec) - RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 10.21 sec) - RI_RPA_H2O_minimax.inp -17.145691263471385 OK ( 19.66 sec) - RI_RPA_H2O_PBE0.inp -17.122863632433706 OK ( 19.59 sec) - RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055724 OK ( 39.08 sec) - RI_RPA_H2O_Obara_Saika.inp -17.160204463745249 OK ( 6.49 sec) - RI_RPA_H2O_svd.inp -17.145691221376186 OK ( 16.92 sec) - RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968487 OK ( 15.42 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ri-rpa (1 of 51) done in 230.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt-force-2 (2 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ri-rpa + RI_RPA_H2O.inp -17.145691221376183 OK ( 10.18 sec) + RI_RPA_H2O_overlap_metric.inp -17.145538849244275 OK ( 16.52 sec) + RI_RPA_CH3.inp -7.415612316029156 OK ( 21.61 sec) + RI_RPA_H2O_SYRK.inp -17.145691221376183 OK ( 7.67 sec) + RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 6.52 sec) + RI_RPA_H2O_minimax.inp -17.145691263471385 OK ( 12.65 sec) + RI_RPA_H2O_PBE0.inp -17.122863632433702 OK ( 15.02 sec) + RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055653 OK ( 20.18 sec) + RI_RPA_H2O_Obara_Saika.inp -17.160204463745348 OK ( 4.86 sec) + RI_RPA_H2O_svd.inp -17.145691221376186 OK ( 13.50 sec) + RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968494 OK ( 16.25 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ri-rpa (1 of 51) done in 154.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt-force-2 (2 of 51) Running h2o_f11.inp Running h2o_f12.inp Running h2o_f13.inp @@ -64561,19 +64597,19 @@ Running h2o_f18.inp Running h2o_f19.inp Running h2o_f20.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt-force-2 - h2o_f11.inp -17.08499353822519 OK ( 40.24 sec) - h2o_f12.inp -17.23314437863602 OK ( 26.25 sec) - h2o_f13.inp -17.21220473050615 OK ( 12.84 sec) - h2o_f14.inp -17.07269323304344 OK ( 9.35 sec) - h2o_f15.inp -17.18915023364719 OK ( 3.94 sec) - h2o_f16.inp -17.18920547152722 OK ( 44.22 sec) - h2o_f17.inp -17.20476266411053 OK ( 4.61 sec) - h2o_f18.inp -16.70951381991751 OK ( 49.26 sec) - h2o_f19.inp -17.21018149302372 OK ( 103.05 sec) - h2o_f20.inp -17.18911873596078 OK ( 5.48 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt-force-2 (2 of 51) done in 307.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-libxc (3 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt-force-2 + h2o_f11.inp -17.08499353831986 OK ( 26.44 sec) + h2o_f12.inp -17.23314437863601 OK ( 15.76 sec) + h2o_f13.inp -17.21220472727078 OK ( 26.95 sec) + h2o_f14.inp -17.07269323308239 OK ( 38.32 sec) + h2o_f15.inp -17.18915023364720 OK ( 3.67 sec) + h2o_f16.inp -17.18920547151932 OK ( 4.03 sec) + h2o_f17.inp -17.20476266429360 OK ( 3.62 sec) + h2o_f18.inp -16.70951381991747 OK ( 5.69 sec) + h2o_f19.inp -17.21018149301693 OK ( 7.46 sec) + h2o_f20.inp -17.18911873596080 OK ( 4.45 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt-force-2 (2 of 51) done in 144.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-libxc (3 of 51) Running H2O-hybrid-b3lyp_libxc_uks.inp Running H2O_pbe_libxc_tddfpt-s.inp Running H2O_lda_libxc_tddfpt-s.inp @@ -64588,23 +64624,23 @@ Running H2O-tpss_lsd.inp Running H2O-hybrid-wb97x2lp-libxc.inp Running H2O-hybrid-wb97x2tqz-libxc.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-libxc - H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581172 OK ( 2.23 sec) - H2O_pbe_libxc_tddfpt-s.inp -17.23116251470401 OK ( 2.40 sec) - H2O_lda_libxc_tddfpt-s.inp -17.13289833455455 OK ( 1.96 sec) - H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474714 OK ( 4.52 sec) - H2O-hybrid-b3lyp_libxc.inp -76.41035426581175 OK ( 1.90 sec) - H2O-hybrid-wb97mv-libxc.inp -76.39611446074751 OK ( 5.17 sec) - H2O-hybrid-cam-lda0.inp -76.47215215215000 OK ( 1.42 sec) - H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455846 OK ( 3.78 sec) - H2O-tpssx_libxc.inp -33.88300963208589 OK ( 1.46 sec) - diamond_br89_libxc_uks.inp -11.06630465114327 OK ( 7.47 sec) - diamond_br89_libxc.inp -11.06581270880658 OK ( 5.34 sec) - H2O-tpss_lsd.inp -34.34060245665994 OK ( 6.91 sec) - H2O-hybrid-wb97x2lp-libxc.inp -16.89949385022599 OK ( 14.50 sec) - H2O-hybrid-wb97x2tqz-libxc.inp -16.91942393076962 OK ( 14.16 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-libxc (3 of 51) done in 82.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-lvlshift (4 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-libxc + H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581172 OK ( 1.99 sec) + H2O_pbe_libxc_tddfpt-s.inp -17.23116251470402 OK ( 2.25 sec) + H2O_lda_libxc_tddfpt-s.inp -17.13289833455456 OK ( 1.87 sec) + H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474714 OK ( 4.47 sec) + H2O-hybrid-b3lyp_libxc.inp -76.41035426581175 OK ( 1.55 sec) + H2O-hybrid-wb97mv-libxc.inp -76.39611446074743 OK ( 4.91 sec) + H2O-hybrid-cam-lda0.inp -76.47215215214997 OK ( 1.31 sec) + H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455845 OK ( 8.67 sec) + H2O-tpssx_libxc.inp -33.88300963208589 OK ( 3.80 sec) + diamond_br89_libxc_uks.inp -11.06630465114327 OK ( 12.61 sec) + diamond_br89_libxc.inp -11.06581270880657 OK ( 6.14 sec) + H2O-tpss_lsd.inp -34.34060245665995 OK ( 6.61 sec) + H2O-hybrid-wb97x2lp-libxc.inp -16.89949385022598 OK ( 13.40 sec) + H2O-hybrid-wb97x2tqz-libxc.inp -16.91942393076963 OK ( 2.46 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-libxc (3 of 51) done in 82.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-lvlshift (4 of 51) Running c2h2-gpw-inverse.inp Running c2h2-gpw-inverse.inp Running c2h2-gpw-off.inp @@ -64613,17 +64649,17 @@ Running c2h2-gpw-reduce.inp Running c2h2-gpw-restore.inp Running c2h2-gpw-restore.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-lvlshift - c2h2-gpw-inverse.inp -12.47387109223698 OK ( 9.91 sec) - c2h2-gpw-inverse.inp 0.261219 OK ( 8.59 sec) - c2h2-gpw-off.inp -12.47387109223698 OK ( 5.50 sec) - c2h2-gpw-off.inp 0.261219 OK ( 5.44 sec) - c2h2-gpw-reduce.inp -12.47387109223699 OK ( 5.62 sec) - c2h2-gpw-reduce.inp 0.261219 OK ( 5.44 sec) - c2h2-gpw-restore.inp -12.47387109223698 OK ( 4.98 sec) - c2h2-gpw-restore.inp 0.261219 OK ( 5.83 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-lvlshift (4 of 51) done in 58.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hfx-periodic (5 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-lvlshift + c2h2-gpw-inverse.inp -12.47387109223698 OK ( 4.47 sec) + c2h2-gpw-inverse.inp 0.261219 OK ( 4.51 sec) + c2h2-gpw-off.inp -12.47387109223698 OK ( 4.46 sec) + c2h2-gpw-off.inp 0.261219 OK ( 6.60 sec) + c2h2-gpw-reduce.inp -12.47387109223699 OK ( 10.04 sec) + c2h2-gpw-reduce.inp 0.261219 OK ( 9.73 sec) + c2h2-gpw-restore.inp -12.47387109223698 OK ( 10.05 sec) + c2h2-gpw-restore.inp 0.261219 OK ( 11.20 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-lvlshift (4 of 51) done in 69.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hfx-periodic (5 of 51) Running H2O-trunc-2.inp Running H2O-trunc-auto.inp Running H2O-coul-0.inp @@ -64636,28 +64672,28 @@ Running h2o-respa_restart.inp Running H2O-id-auto.inp Running graphene_periodic_XY.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hfx-periodic - H2O-trunc-2.inp -75.99943504501113 OK ( 1.53 sec) - H2O-trunc-auto.inp -75.99943504501114 OK ( 1.52 sec) - H2O-coul-0.inp -76.02314790926960 OK ( 1.15 sec) - H2O-trunc-auto-md.inp -0.752385976548E+02 OK ( 2.77 sec) - CH3-trunc-auto.inp -39.13005530688503 OK ( 2.11 sec) - CH3-trunc-1.inp -39.36116309759836 OK ( 2.24 sec) - CH3-trunc-auto-md.inp -0.387264301978E+02 OK ( 5.14 sec) - CH3-coul-0.inp -39.39910229689006 OK ( 1.97 sec) - h2o-respa.inp -76.02310918725382 OK ( 12.52 sec) - h2o-respa_restart.inp -76.02267217093846 OK ( 9.18 sec) - H2O-id-auto.inp -88.00800458675096 OK ( 1.23 sec) - graphene_periodic_XY.inp -77.25992466324722 OK ( 1.49 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hfx-periodic (5 of 51) done in 50.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt-lri (6 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hfx-periodic + H2O-trunc-2.inp -75.99943504501113 OK ( 4.80 sec) + H2O-trunc-auto.inp -75.99943504501111 OK ( 3.81 sec) + H2O-coul-0.inp -76.02314790926958 OK ( 2.90 sec) + H2O-trunc-auto-md.inp -0.752385976548E+02 OK ( 9.46 sec) + CH3-trunc-auto.inp -39.13005530688504 OK ( 10.68 sec) + CH3-trunc-1.inp -39.36116309759835 OK ( 7.74 sec) + CH3-trunc-auto-md.inp -0.387264301978E+02 OK ( 5.90 sec) + CH3-coul-0.inp -39.39910229689009 OK ( 1.75 sec) + h2o-respa.inp -76.02310918725378 OK ( 9.19 sec) + h2o-respa_restart.inp -76.02267217093851 OK ( 6.47 sec) + H2O-id-auto.inp -88.00800458675091 OK ( 2.97 sec) + graphene_periodic_XY.inp -77.25992466324708 OK ( 4.43 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hfx-periodic (5 of 51) done in 84.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt-lri (6 of 51) Running h2o_lri01_only_es.inp Running h2o_lri02_es_and_gs.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt-lri - h2o_lri01_only_es.inp 0.941247E+00 OK ( 9.54 sec) - h2o_lri02_es_and_gs.inp 0.942148E+00 OK ( 11.63 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt-lri (6 of 51) done in 23.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/MC/regtest (7 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt-lri + h2o_lri01_only_es.inp 0.941247E+00 OK ( 44.74 sec) + h2o_lri02_es_and_gs.inp 0.942148E+00 OK ( 48.53 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt-lri (6 of 51) done in 97.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/MC/regtest (7 of 51) Running MC_QS.inp Running MC_QS_restart.inp Running GEMC_NpT_box1.inp @@ -64668,41 +64704,41 @@ Running virial.inp Running hmc.inp Running MC_QS_cluster.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/MC/regtest - MC_QS.inp -51.34794469 OK ( 1.10 sec) - MC_QS_restart.inp -51.34909000 OK ( 1.39 sec) - GEMC_NpT_box1.inp 0.49826574 OK ( 0.88 sec) - GEMC_NVT_box1.inp 0.49803069 OK ( 0.71 sec) - GEMC_swap_box1.inp 0.55872200 OK ( 1.97 sec) - canonical.inp 0.55333815 OK ( 0.19 sec) - canonical_bias.inp 0.38566238 OK ( 0.35 sec) - virial.inp -.723498E+03 OK ( 0.30 sec) - hmc.inp -2.49775342 OK ( 15.20 sec) - MC_QS_cluster.inp -123.50714373283515 OK ( 61.38 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/MC/regtest (7 of 51) done in 90.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ri-mp2 (8 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/MC/regtest + MC_QS.inp -51.34794469 OK ( 6.42 sec) + MC_QS_restart.inp -51.34909000 OK ( 5.74 sec) + GEMC_NpT_box1.inp 0.49826574 OK ( 2.43 sec) + GEMC_NVT_box1.inp 0.49803069 OK ( 4.37 sec) + GEMC_swap_box1.inp 0.55872200 OK ( 5.89 sec) + canonical.inp 0.55333815 OK ( 3.25 sec) + canonical_bias.inp 0.38566238 OK ( 11.29 sec) + virial.inp -.723498E+03 OK ( 0.29 sec) + hmc.inp -2.49775342 OK ( 15.08 sec) + MC_QS_cluster.inp -123.50714373283512 OK ( 26.40 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/MC/regtest (7 of 51) done in 93.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ri-mp2 (8 of 51) Running RI_MP2_H2O.inp Running RI_MP2_H2O_MME.inp Running RI_MP2_H2O_NONORTHO_MME.inp Running RI_MP2_CH3.inp Running RI_MP2_CH3_auto.inp Running RI_MP2_H2O_svd.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ri-mp2 - RI_MP2_H2O.inp -17.182557666877447 OK ( 8.08 sec) - RI_MP2_H2O_MME.inp -17.054236987683794 OK ( 1.40 sec) - RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834585 OK ( 4.77 sec) - RI_MP2_CH3.inp -7.284101370683132 OK ( 3.89 sec) - RI_MP2_CH3_auto.inp -7.283986189880396 OK ( 3.35 sec) - RI_MP2_H2O_svd.inp -17.049485626823316 OK ( 2.58 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ri-mp2 (8 of 51) done in 27.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ps-implicit-2-3 (9 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ri-mp2 + RI_MP2_H2O.inp -17.182557666877440 OK ( 12.29 sec) + RI_MP2_H2O_MME.inp -17.054236987683790 OK ( 7.56 sec) + RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834585 OK ( 12.65 sec) + RI_MP2_CH3.inp -7.284101370683138 OK ( 26.39 sec) + RI_MP2_CH3_auto.inp -7.283986189880399 OK ( 24.35 sec) + RI_MP2_H2O_svd.inp -17.049485626823309 OK ( 17.49 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ri-mp2 (8 of 51) done in 107.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ps-implicit-2-3 (9 of 51) Running H2O_mixed_periodic_cuboidal.inp Running H2O_mixed_periodic_cylindrical.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ps-implicit-2-3 - H2O_mixed_periodic_cuboidal.inp -17.23631232134671 OK ( 15.49 sec) - H2O_mixed_periodic_cylindrical.inp -17.32193400041632 OK ( 8.59 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ps-implicit-2-3 (9 of 51) done in 26.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-polar (10 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ps-implicit-2-3 + H2O_mixed_periodic_cuboidal.inp -17.23631232134671 OK ( 46.71 sec) + H2O_mixed_periodic_cylindrical.inp -17.32193400041632 OK ( 26.50 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ps-implicit-2-3 (9 of 51) done in 76.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-polar (10 of 51) Running h2o_LRraman.inp Running h2o_LRraman_loc.inp Running h2o_LRraman_noort.inp @@ -64710,16 +64746,16 @@ Running xTB_LRraman.inp Running xTB_LRraman_loc.inp Running h2o_LRraman_LRI.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-polar - h2o_LRraman.inp 0.006179870499 OK ( 1.17 sec) - h2o_LRraman_loc.inp 0.009267643345 OK ( 5.61 sec) - h2o_LRraman_noort.inp 0.020215112241 OK ( 0.85 sec) - H2O_md_polar.inp 0.619288206272 OK ( 9.84 sec) - xTB_LRraman.inp 0.807352993847 OK ( 0.68 sec) - xTB_LRraman_loc.inp 0.807352993847 OK ( 0.42 sec) - h2o_LRraman_LRI.inp 0.004283722853 OK ( 3.62 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-polar (10 of 51) done in 27.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/LIBTEST (11 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-polar + h2o_LRraman.inp 0.006179870499 OK ( 3.59 sec) + h2o_LRraman_loc.inp 0.009267643345 OK ( 21.01 sec) + h2o_LRraman_noort.inp 0.020215112241 OK ( 4.39 sec) + H2O_md_polar.inp 0.619288206272 OK ( 36.39 sec) + xTB_LRraman.inp 0.807352993847 OK ( 2.12 sec) + xTB_LRraman_loc.inp 0.807352993847 OK ( 1.76 sec) + h2o_LRraman_LRI.inp 0.004283722853 OK ( 2.10 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-polar (10 of 51) done in 79.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/LIBTEST (11 of 51) Running test_01.inp Running test_02.inp Running test_pw.inp @@ -64758,58 +64794,58 @@ Running test_minimax.inp Running test_shg_integrals_01.inp Running test_shg_integrals_02.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/LIBTEST - test_01.inp - OK ( 2.33 sec) - test_02.inp - OK ( 0.72 sec) - test_pw.inp - OK ( 0.92 sec) - test_pw_02.inp - OK ( 0.01 sec) - test_pw_03.inp - OK ( 0.00 sec) - test_pw_04.inp - OK ( 0.29 sec) - test_pw_05.inp - OK ( 0.02 sec) - test_cp_fm_gemm_01.inp - OK ( 0.66 sec) - test_cp_fm_gemm_02.inp - OK ( 0.53 sec) - eig.inp - OK ( 0.02 sec) - dbcsr_mm_blas.inp - OK ( 0.39 sec) - dbcsr_multistack.inp - OK ( 0.16 sec) - dbcsr_types.inp - OK ( 1.65 sec) - dbcsr_blocks_01.inp 20978908949.261906 OK ( 0.66 sec) - dbcsr_blocks_02.inp 21229174127.238159 OK ( 0.61 sec) - dbcsr_blocks_03.inp 21561533688.640675 OK ( 0.54 sec) - dbcsr_blocks_04.inp 21304439095.777740 OK ( 0.64 sec) - dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.78 sec) - dbcsr_types_01.inp 272584373.29241335 OK ( 1.36 sec) - dbcsr_types_02.inp 272584373.29241335 OK ( 1.57 sec) - dbcsr_types_03.inp 272584373.29241335 OK ( 2.21 sec) - dbcsr_types_04.inp 272584373.29241335 OK ( 0.15 sec) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/LIBTEST + test_01.inp - OK ( 2.19 sec) + test_02.inp - OK ( 0.62 sec) + test_pw.inp - OK ( 1.04 sec) + test_pw_02.inp - OK ( 0.08 sec) + test_pw_03.inp - OK ( 0.07 sec) + test_pw_04.inp - OK ( 1.22 sec) + test_pw_05.inp - OK ( 0.21 sec) + test_cp_fm_gemm_01.inp - OK ( 0.95 sec) + test_cp_fm_gemm_02.inp - OK ( 1.04 sec) + eig.inp - OK ( 0.03 sec) + dbcsr_mm_blas.inp - OK ( 0.79 sec) + dbcsr_multistack.inp - OK ( 3.15 sec) + dbcsr_types.inp - OK ( 5.41 sec) + dbcsr_blocks_01.inp 20978908949.261906 OK ( 6.24 sec) + dbcsr_blocks_02.inp 21229174127.238159 OK ( 3.93 sec) + dbcsr_blocks_03.inp 21561533688.640675 OK ( 4.52 sec) + dbcsr_blocks_04.inp 21304439095.777740 OK ( 3.01 sec) + dbcsr_blocks_05.inp 21455488291.450737 OK ( 1.73 sec) + dbcsr_types_01.inp 272584373.29241335 OK ( 0.22 sec) + dbcsr_types_02.inp 272584373.29241335 OK ( 0.23 sec) + dbcsr_types_03.inp 272584373.29241335 OK ( 0.22 sec) + dbcsr_types_04.inp 272584373.29241335 OK ( 0.22 sec) dbcsr_types_05.inp 272584373.29241335 OK ( 0.21 sec) - dbcsr_io_1.inp - OK ( 0.10 sec) - dbcsr_order_N.inp 1910924.8949438259 OK ( 2.11 sec) - dbm_blocks_01.inp 20978908949.261597 OK ( 0.55 sec) - dbm_blocks_02.inp 21229174127.238667 OK ( 0.53 sec) - dbm_blocks_03.inp 21561533688.640690 OK ( 0.49 sec) - dbm_blocks_04.inp 21304439095.777515 OK ( 0.50 sec) - dbm_blocks_05.inp 21455488291.450775 OK ( 0.45 sec) - dbm_order_N.inp 1910924.8949438122 OK ( 0.61 sec) + dbcsr_io_1.inp - OK ( 0.06 sec) + dbcsr_order_N.inp 1910924.8949438259 OK ( 4.60 sec) + dbm_blocks_01.inp 20978908949.261597 OK ( 0.49 sec) + dbm_blocks_02.inp 21229174127.238667 OK ( 0.47 sec) + dbm_blocks_03.inp 21561533688.640690 OK ( 0.48 sec) + dbm_blocks_04.inp 21304439095.777515 OK ( 0.52 sec) + dbm_blocks_05.inp 21455488291.450775 OK ( 0.64 sec) + dbm_order_N.inp 1910924.8949438122 OK ( 0.60 sec) test_eri_mme_accuracy.inp - OK ( 0.58 sec) test_eri_mme_accuracy_longrange.inp - OK ( 0.59 sec) - test_eri_mme_accuracy_yukawa.inp - OK ( 0.59 sec) - test_eri_mme_performance.inp - OK ( 0.98 sec) - test_minimax.inp - OK ( 0.18 sec) - test_shg_integrals_01.inp - OK ( 1.08 sec) - test_shg_integrals_02.inp - OK ( 0.42 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/LIBTEST (11 of 51) done in 46.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hfx-stress (12 of 51) + test_eri_mme_accuracy_yukawa.inp - OK ( 0.58 sec) + test_eri_mme_performance.inp - OK ( 0.99 sec) + test_minimax.inp - OK ( 0.16 sec) + test_shg_integrals_01.inp - OK ( 1.09 sec) + test_shg_integrals_02.inp - OK ( 0.43 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/LIBTEST (11 of 51) done in 80.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hfx-stress (12 of 51) Running ch3-admm.inp Running ch3.inp Running ch4-admm.inp Running h2o.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hfx-stress - ch3-admm.inp -7.17220679426E+00 OK ( 6.24 sec) - ch3.inp 2.83902802184E+01 OK ( 3.14 sec) - ch4-admm.inp -7.10694422307E+00 OK ( 4.67 sec) - h2o.inp 1.26297506243E+01 OK ( 2.34 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hfx-stress (12 of 51) done in 20.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-2-erf (13 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hfx-stress + ch3-admm.inp -7.17220679410E+00 OK ( 42.41 sec) + ch3.inp 2.83902802184E+01 OK ( 6.65 sec) + ch4-admm.inp -7.10694422189E+00 OK ( 27.81 sec) + h2o.inp 1.26297506243E+01 OK ( 4.30 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hfx-stress (12 of 51) done in 85.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-2-erf (13 of 51) Running H2O-qmmm-gauss-14-geep-2.inp Running H2O-qmmm-gauss-14-geep-3.inp Running H2O-qmmm-gauss-14-geep-4.inp @@ -64827,26 +64863,26 @@ Running H2O-qmmm-gauss-14-geep-16.inp Running H2O-qmmm-gauss-14-geep-17.inp Running H2O-qmmm-gauss-14-geep-18.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-2-erf - H2O-qmmm-gauss-14-geep-2.inp -12.90417644796693 OK ( 0.14 sec) - H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.18 sec) - H2O-qmmm-gauss-14-geep-4.inp -12.90733560862244 OK ( 0.17 sec) - H2O-qmmm-gauss-14-geep-5.inp -12.92642686633917 OK ( 0.19 sec) - H2O-qmmm-gauss-14-geep-6.inp -12.92230602230404 OK ( 0.20 sec) - H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.18 sec) - H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.19 sec) - H2O-qmmm-gauss-14-geep-9.inp -12.91437166178600 OK ( 0.21 sec) - H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.20 sec) - H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.17 sec) - H2O-qmmm-gauss-14-geep-12.inp -12.91332340555361 OK ( 0.23 sec) - H2O-qmmm-gauss-14-geep-13.inp -12.91325023093564 OK ( 0.25 sec) - H2O-qmmm-gauss-14-geep-14.inp -12.91299456139047 OK ( 0.36 sec) - H2O-qmmm-gauss-14-geep-15.inp -12.91325018773841 OK ( 1.06 sec) - H2O-qmmm-gauss-14-geep-16.inp -12.91325925146546 OK ( 1.03 sec) - H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 1.13 sec) - H2O-qmmm-gauss-14-geep-18.inp -12.91336753631512 OK ( 1.70 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-2-erf (13 of 51) done in 17.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt (14 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-2-erf + H2O-qmmm-gauss-14-geep-2.inp -12.90417644796693 OK ( 0.64 sec) + H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.65 sec) + H2O-qmmm-gauss-14-geep-4.inp -12.90733560862244 OK ( 0.86 sec) + H2O-qmmm-gauss-14-geep-5.inp -12.92642686633917 OK ( 0.75 sec) + H2O-qmmm-gauss-14-geep-6.inp -12.92230602230404 OK ( 0.67 sec) + H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.68 sec) + H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.64 sec) + H2O-qmmm-gauss-14-geep-9.inp -12.91437166178600 OK ( 0.83 sec) + H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.64 sec) + H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.63 sec) + H2O-qmmm-gauss-14-geep-12.inp -12.91332340555361 OK ( 0.30 sec) + H2O-qmmm-gauss-14-geep-13.inp -12.91325023093564 OK ( 0.23 sec) + H2O-qmmm-gauss-14-geep-14.inp -12.91299456139047 OK ( 0.31 sec) + H2O-qmmm-gauss-14-geep-15.inp -12.91325018773841 OK ( 1.10 sec) + H2O-qmmm-gauss-14-geep-16.inp -12.91325925146546 OK ( 1.07 sec) + H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 1.40 sec) + H2O-qmmm-gauss-14-geep-18.inp -12.91336753631511 OK ( 1.75 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-2-erf (13 of 51) done in 28.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt (14 of 51) Running H2O_tddfpt-s-1.inp Running H2O_tddfpt-t-1.inp Running NO_tddfpt-s-1.inp @@ -64866,39 +64902,39 @@ Running H2O_GAPW_XC_1.inp Running H2O_GAPW_XC_2.inp Running H2O_GAPW_XC_3.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt - H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 1.77 sec) - H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 1.57 sec) - NO_tddfpt-s-1.inp 0.335486E+00 OK ( 5.92 sec) - NO_tddfpt-t-1.inp 0.342419E+00 OK ( 7.58 sec) - H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 1.64 sec) - H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 1.91 sec) - NO_tddfpt-t-2.inp 0.358683E+00 OK ( 9.64 sec) - H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 1.85 sec) - H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 1.73 sec) - NO_tddfpt-s-3.inp 0.350929E+00 OK ( 5.27 sec) - NO_tddfpt-t-3.inp 0.358683E+00 OK ( 8.85 sec) - H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 2.96 sec) - H2O_GAPW_1.inp 0.543793E+00 OK ( 7.18 sec) - H2O_GAPW_2.inp 0.586179E+00 OK ( 9.21 sec) - H2O_GAPW_3.inp 0.593063E+00 OK ( 33.40 sec) - H2O_GAPW_4.inp 0.619386E+00 OK ( 13.14 sec) - H2O_GAPW_XC_1.inp 0.619451E+00 OK ( 13.15 sec) - H2O_GAPW_XC_2.inp 0.812642E+00 OK ( 14.19 sec) - H2O_GAPW_XC_3.inp 0.836577E+00 OK ( 16.61 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-tddfpt (14 of 51) done in 168.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-gapw (15 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt + H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 0.68 sec) + H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 0.52 sec) + NO_tddfpt-s-1.inp 0.335486E+00 OK ( 3.77 sec) + NO_tddfpt-t-1.inp 0.342419E+00 OK ( 5.21 sec) + H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.54 sec) + H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 0.74 sec) + NO_tddfpt-t-2.inp 0.358683E+00 OK ( 4.84 sec) + H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 0.71 sec) + H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 0.65 sec) + NO_tddfpt-s-3.inp 0.350929E+00 OK ( 2.29 sec) + NO_tddfpt-t-3.inp 0.358683E+00 OK ( 4.26 sec) + H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 1.94 sec) + H2O_GAPW_1.inp 0.543793E+00 OK ( 5.58 sec) + H2O_GAPW_2.inp 0.586179E+00 OK ( 14.91 sec) + H2O_GAPW_3.inp 0.593063E+00 OK ( 35.60 sec) + H2O_GAPW_4.inp 0.619386E+00 OK ( 12.16 sec) + H2O_GAPW_XC_1.inp 0.619451E+00 OK ( 16.77 sec) + H2O_GAPW_XC_2.inp 0.812642E+00 OK ( 19.35 sec) + H2O_GAPW_XC_3.inp 0.836577E+00 OK ( 13.40 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-tddfpt (14 of 51) done in 156.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-gapw (15 of 51) Running C11H24-qmmmgapwall-gauss-0.inp Running C11H24-qmmmgapw-gauss-0.inp Running H2O-qmmm-gapw-fdbg.inp Running H2O-qmmm-hfx.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-gapw - C11H24-qmmmgapwall-gauss-0.inp -156.88271046728144 OK ( 2.85 sec) - C11H24-qmmmgapw-gauss-0.inp -28.0421973525 OK ( 6.20 sec) - H2O-qmmm-gapw-fdbg.inp -16.93909155475011 OK ( 41.07 sec) - H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 3.95 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-gapw (15 of 51) done in 58.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/DFTB/regtest-nonscc (16 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-gapw + C11H24-qmmmgapwall-gauss-0.inp -156.88271046728141 OK ( 1.43 sec) + C11H24-qmmmgapw-gauss-0.inp -28.0421973525 OK ( 1.14 sec) + H2O-qmmm-gapw-fdbg.inp -16.93909155475012 OK ( 3.41 sec) + H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 3.71 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-gapw (15 of 51) done in 13.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/DFTB/regtest-nonscc (16 of 51) Running ch2o-1.inp Running ch2o-2.inp Running ch2o-3.inp @@ -64922,32 +64958,32 @@ Running co2_3.inp Running si_kp1.inp Running si_kp2.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/DFTB/regtest-nonscc - ch2o-1.inp -5.82072731467941 OK ( 0.05 sec) - ch2o-2.inp -5.82159061359820 OK ( 0.08 sec) - ch2o-3.inp -5.81373413468793 OK ( 0.08 sec) - ch2o-r.inp -5.81373413468793 OK ( 0.22 sec) - h2-1.inp -0.70875565358819 OK ( 0.09 sec) - h2-2.inp -0.70875565358819 OK ( 0.05 sec) - h2-3.inp -0.70875565358819 OK ( 0.10 sec) - h2-4.inp -0.71042952969308 OK ( 0.06 sec) - h2o-32_1.inp -131.08636939008761 OK ( 0.75 sec) - h2o-32_2.inp -131.07999691054354 OK ( 0.78 sec) - h2o-32_3.inp -131.07520911566402 OK ( 0.54 sec) - h2o-32_4.inp -131.07520911521172 OK ( 3.61 sec) - MoS.inp -2.99616182900092 OK ( 0.17 sec) - n2.inp -4.86560729572791 OK ( 0.37 sec) - s2.inp -4.83731808711857 OK ( 0.15 sec) - ch2o_atprop.inp -5.81281420275335 OK ( 0.08 sec) - MoS_atprop.inp -2.99616182900092 OK ( 0.17 sec) - h2o-32_atprop.inp -131.08636939008761 OK ( 0.78 sec) - co2_1.inp -8.55586246566686 OK ( 0.23 sec) - co2_2.inp -8.55586246566686 OK ( 0.21 sec) - co2_3.inp -8.55586246566686 OK ( 0.03 sec) - si_kp1.inp -10.06358203475393 OK ( 2.37 sec) - si_kp2.inp - OK ( 19.74 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/DFTB/regtest-nonscc (16 of 51) done in 41.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/ATOM/regtest-2 (17 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/DFTB/regtest-nonscc + ch2o-1.inp -5.82072731467941 OK ( 0.04 sec) + ch2o-2.inp -5.82159061359820 OK ( 0.07 sec) + ch2o-3.inp -5.81373413468793 OK ( 0.07 sec) + ch2o-r.inp -5.81373413468793 OK ( 0.07 sec) + h2-1.inp -0.70875565358819 OK ( 0.01 sec) + h2-2.inp -0.70875565358819 OK ( 0.02 sec) + h2-3.inp -0.70875565358819 OK ( 0.02 sec) + h2-4.inp -0.71042952969308 OK ( 1.33 sec) + h2o-32_1.inp -131.08636939008761 OK ( 1.19 sec) + h2o-32_2.inp -131.07999691054354 OK ( 1.31 sec) + h2o-32_3.inp -131.07520911566402 OK ( 0.89 sec) + h2o-32_4.inp -131.07520911521172 OK ( 8.55 sec) + MoS.inp -2.99616182900092 OK ( 0.33 sec) + n2.inp -4.86560729572791 OK ( 20.31 sec) + s2.inp -4.83731808711857 OK ( 0.64 sec) + ch2o_atprop.inp -5.81281420275335 OK ( 0.16 sec) + MoS_atprop.inp -2.99616182900092 OK ( 0.55 sec) + h2o-32_atprop.inp -131.08636939008761 OK ( 1.17 sec) + co2_1.inp -8.55586246566686 OK ( 0.07 sec) + co2_2.inp -8.55586246566686 OK ( 0.10 sec) + co2_3.inp -8.55586246566686 OK ( 0.21 sec) + si_kp1.inp -10.06358203475393 OK ( 3.90 sec) + si_kp2.inp - OK ( 46.07 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/DFTB/regtest-nonscc (16 of 51) done in 103.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/ATOM/regtest-2 (17 of 51) Running H.inp Running He_1.inp Running He_2.inp @@ -64987,57 +65023,57 @@ Running C.inp Running C_ADMM.inp Running C_tpss.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/ATOM/regtest-2 - H.inp -0.499999999830 OK ( 0.10 sec) - He_1.inp -1.399307796698 OK ( 0.02 sec) - He_2.inp -1.336212351224 OK ( 0.02 sec) - He_3.inp -1.416270865184 OK ( 0.03 sec) - He_5.inp -1.408879880907 OK ( 0.02 sec) - F_1.inp -24.171954774816 OK ( 0.16 sec) - F_2.inp -24.171954774816 OK ( 0.16 sec) - F_3.inp -24.171954774816 OK ( 0.16 sec) - F_4.inp -23.517790822115 OK ( 0.07 sec) - F_5.inp -23.437623684262 OK ( 0.05 sec) - U.inp -25598.253318868734 OK ( 1.93 sec) - Ru.inp -15.9518066199 OK ( 1.57 sec) - Ru_basis.inp -15.951806619855 OK ( 0.03 sec) - Ru_conf.inp -15.9897774741 OK ( 1.49 sec) - atom_1.inp -0.462506882641 OK ( 0.03 sec) - atom_2.inp -0.356859139125 OK ( 0.03 sec) - atom_3.inp -0.462506882641 OK ( 0.03 sec) - atom_4.inp -0.146531730136 OK ( 0.03 sec) - atom_5.inp -0.462506882641 OK ( 0.02 sec) - atom_c1.inp -0.460470116001 OK ( 0.02 sec) - atom_c2.inp -0.348633649362 OK ( 0.01 sec) - atom_c3.inp -0.460470116001 OK ( 0.02 sec) - atom_c4.inp -0.038182392054 OK ( 0.02 sec) - atom_c5.inp -0.460470116001 OK ( 0.02 sec) - slater_0.inp -2.847630187388 OK ( 0.01 sec) - slater_1.inp -526.292493965898 OK ( 0.01 sec) - slater_2.inp -24.243036046110 OK ( 0.15 sec) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/ATOM/regtest-2 + H.inp -0.499999999830 OK ( 0.29 sec) + He_1.inp -1.399307796698 OK ( 0.10 sec) + He_2.inp -1.336212351224 OK ( 0.10 sec) + He_3.inp -1.416270865184 OK ( 0.04 sec) + He_5.inp -1.408879880907 OK ( 0.05 sec) + F_1.inp -24.171954774816 OK ( 0.34 sec) + F_2.inp -24.171954774816 OK ( 0.74 sec) + F_3.inp -24.171954774816 OK ( 2.20 sec) + F_4.inp -23.517790822115 OK ( 0.56 sec) + F_5.inp -23.437623684262 OK ( 0.10 sec) + U.inp -25598.253318868734 OK ( 3.73 sec) + Ru.inp -15.9518066199 OK ( 3.43 sec) + Ru_basis.inp -15.951806619855 OK ( 0.52 sec) + Ru_conf.inp -15.9897774741 OK ( 8.00 sec) + atom_1.inp -0.462506882641 OK ( 0.04 sec) + atom_2.inp -0.356859139125 OK ( 0.19 sec) + atom_3.inp -0.462506882641 OK ( 0.21 sec) + atom_4.inp -0.146531730136 OK ( 0.08 sec) + atom_5.inp -0.462506882641 OK ( 0.19 sec) + atom_c1.inp -0.460470116001 OK ( 0.04 sec) + atom_c2.inp -0.348633649362 OK ( 0.06 sec) + atom_c3.inp -0.460470116001 OK ( 0.03 sec) + atom_c4.inp -0.038182392054 OK ( 0.08 sec) + atom_c5.inp -0.460470116001 OK ( 0.09 sec) + slater_0.inp -2.847630187388 OK ( 0.02 sec) + slater_1.inp -526.292493965898 OK ( 0.08 sec) + slater_2.inp -24.243036046110 OK ( 0.72 sec) slater_3.inp -2.838751324071 OK ( 0.01 sec) - slater_4.inp 8.063992740899 OK ( 0.02 sec) - slater_5.inp 109583.1142107928 OK ( 0.02 sec) - slater_6.inp 3762956.0611233907 OK ( 0.06 sec) - slater_7.inp -2.8616551305 OK ( 0.41 sec) - slater_8.inp -0.1875976021 OK ( 0.02 sec) + slater_4.inp 8.063992740899 OK ( 0.03 sec) + slater_5.inp 109583.1142107928 OK ( 0.13 sec) + slater_6.inp 3762956.0611233907 OK ( 0.13 sec) + slater_7.inp -2.8616551305 OK ( 0.42 sec) + slater_8.inp -0.1875976021 OK ( 0.05 sec) slater_9.inp -525.7615443522 OK ( 0.07 sec) slater_10.inp -2.841058209720 OK ( 0.01 sec) - Hg.inp -19601.624766751032 OK ( 1.07 sec) - C.inp -37.799871796427 OK ( 0.10 sec) - C_ADMM.inp -37.758721798836 OK ( 0.14 sec) - C_tpss.inp -37.801438870459 OK ( 0.13 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/ATOM/regtest-2 (17 of 51) done in 25.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-epr-2 (18 of 51) + Hg.inp -19601.624766751032 OK ( 1.11 sec) + C.inp -37.799871796427 OK ( 0.11 sec) + C_ADMM.inp -37.758721798836 OK ( 0.13 sec) + C_tpss.inp -37.801438870459 OK ( 0.14 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/ATOM/regtest-2 (17 of 51) done in 69.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-epr-2 (18 of 51) Running NO2-EPR-1.inp Running NO2-EPR-2.inp Running NO2-EPR-3.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-epr-2 - NO2-EPR-1.inp -0.235324E-02 OK ( 3.55 sec) - NO2-EPR-2.inp -0.132302E-02 OK ( 1.36 sec) - NO2-EPR-3.inp -0.123500E-02 OK ( 2.13 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-epr-2 (18 of 51) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-4 (19 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-epr-2 + NO2-EPR-1.inp -0.235324E-02 OK ( 20.80 sec) + NO2-EPR-2.inp -0.132302E-02 OK ( 4.14 sec) + NO2-EPR-3.inp -0.123500E-02 OK ( 3.56 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-epr-2 (18 of 51) done in 32.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-4 (19 of 51) Running crys_per_qmmm.inp Running crys_per_qmmm_anal.inp Running crys_per_qmmm_spln.inp @@ -65045,16 +65081,16 @@ Running acn-qmmm-re.inp Running acn-conn-1.inp Running wat_nacl.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-4 - crys_per_qmmm.inp -0.08375440741138 OK ( 1.15 sec) - crys_per_qmmm_anal.inp -0.03306937253924 OK ( 1.00 sec) - crys_per_qmmm_spln.inp -0.03306936689222 OK ( 1.03 sec) - crys_per_qmmm_none.inp -0.08375440741161 OK ( 0.68 sec) - acn-qmmm-re.inp -14.78512402427881 OK ( 0.38 sec) - acn-conn-1.inp -291.88277950579931 OK ( 2.80 sec) - wat_nacl.inp -16.691503876247001 OK ( 1.31 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-4 (19 of 51) done in 13.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/SE/regtest_2 (20 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-4 + crys_per_qmmm.inp -0.08375440741138 OK ( 1.17 sec) + crys_per_qmmm_anal.inp -0.03306937253924 OK ( 2.46 sec) + crys_per_qmmm_spln.inp -0.03306936689222 OK ( 4.67 sec) + crys_per_qmmm_none.inp -0.08375440741161 OK ( 1.53 sec) + acn-qmmm-re.inp -14.78512402427911 OK ( 3.40 sec) + acn-conn-1.inp -291.88277950582756 OK ( 6.15 sec) + wat_nacl.inp -16.691503876246994 OK ( 5.75 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-4 (19 of 51) done in 33.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/SE/regtest_2 (20 of 51) Running nh3_g4x6_excl_mm.inp Running nh3_g4x6_excl_qm.inp Running water_colv_excl_mm.inp @@ -65064,25 +65100,25 @@ Running water_g3x3_excl_mm.inp Running water_g3x3_excl_qm.inp Running Si_tersoff_qmmm.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/SE/regtest_2 - nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 0.42 sec) - nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.48 sec) - water_colv_excl_mm.inp -0.128071776255E+02 OK ( 0.48 sec) - water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.45 sec) - water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.31 sec) - water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.43 sec) - water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.36 sec) - water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.49 sec) - Si_tersoff_qmmm.inp -3418.06809308964330 OK ( 4.89 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/SE/regtest_2 (20 of 51) done in 14.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-mp2-1 (21 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/SE/regtest_2 + nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 14.01 sec) + nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 18.03 sec) + water_colv_excl_mm.inp -0.128071776255E+02 OK ( 15.90 sec) + water_colv_excl_qm.inp -0.128078086386E+02 OK ( 13.70 sec) + water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 6.80 sec) + water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 14.10 sec) + water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 9.65 sec) + water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 13.51 sec) + Si_tersoff_qmmm.inp -3418.06809308964330 OK ( 28.48 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/SE/regtest_2 (20 of 51) done in 146.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-mp2-1 (21 of 51) Running H2O-01.inp Running Li.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-mp2-1 - H2O-01.inp -76.263035235012467 OK ( 4.27 sec) - Li.inp -7.442887463667667 OK ( 5.92 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-mp2-1 (21 of 51) done in 12.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/DFTB/regtest (22 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-mp2-1 + H2O-01.inp -76.263035235012524 OK ( 3.40 sec) + Li.inp -7.442887463667667 OK ( 9.01 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-mp2-1 (21 of 51) done in 15.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/DFTB/regtest (22 of 51) Running wdim_scc.inp Running wdim_nonscc.inp Running wdimmc_scc.inp @@ -65098,29 +65134,29 @@ Running fdeb_5.inp Running fdeb_6.inp Running fdeb_7.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/DFTB/regtest - wdim_scc.inp -4.07355023693330 OK ( 0.46 sec) - wdim_nonscc.inp -4.10498450145550 OK ( 0.05 sec) - wdimmc_scc.inp -4.07060757309577 OK ( 0.05 sec) - wdimmc_nonscc.inp -4.10169797261567 OK ( 0.05 sec) - epc_1.inp -4.07357205844602 OK ( 0.22 sec) - epc_2.inp -4.07355023693330 OK ( 0.04 sec) - epc_3.inp -4.10500910796088 OK ( 0.07 sec) - epc_4.inp -4.07358020377115 OK ( 0.10 sec) - fdeb_1.inp - OK ( 0.61 sec) - fdeb_2.inp - OK ( 0.62 sec) - fdeb_3.inp - OK ( 0.56 sec) - fdeb_4.inp - OK ( 0.71 sec) - fdeb_5.inp - OK ( 0.60 sec) - fdeb_6.inp - OK ( 0.75 sec) - fdeb_7.inp - OK ( 1.02 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/DFTB/regtest (22 of 51) done in 15.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-sccs-2 (23 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/DFTB/regtest + wdim_scc.inp -4.07355023693330 OK ( 0.67 sec) + wdim_nonscc.inp -4.10498450145550 OK ( 0.73 sec) + wdimmc_scc.inp -4.07060757309577 OK ( 0.71 sec) + wdimmc_nonscc.inp -4.10169797261567 OK ( 1.05 sec) + epc_1.inp -4.07357205844602 OK ( 1.35 sec) + epc_2.inp -4.07355023693330 OK ( 0.75 sec) + epc_3.inp -4.10500910796088 OK ( 1.50 sec) + epc_4.inp -4.07358020377115 OK ( 1.41 sec) + fdeb_1.inp - OK ( 12.12 sec) + fdeb_2.inp - OK ( 0.58 sec) + fdeb_3.inp - OK ( 21.19 sec) + fdeb_4.inp - OK ( 1.04 sec) + fdeb_5.inp - OK ( 0.50 sec) + fdeb_6.inp - OK ( 0.74 sec) + fdeb_7.inp - OK ( 0.98 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/DFTB/regtest (22 of 51) done in 59.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-sccs-2 (23 of 51) Running H2O_sccs_otdiis_cd5.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-sccs-2 - H2O_sccs_otdiis_cd5.inp -17.22654049702944 OK ( 6.49 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-sccs-2 (23 of 51) done in 8.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-md-lgvregion (24 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-sccs-2 + H2O_sccs_otdiis_cd5.inp -17.22654049702944 OK ( 13.10 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-sccs-2 (23 of 51) done in 15.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-md-lgvregion (24 of 51) Running langevin_regions-1.inp Running langevin_regions-2.inp Running langevin_regions-3.inp @@ -65128,16 +65164,16 @@ Running langevin_regions-5.inp Running langevin_regions-6.inp Running langevin_regions-7.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-md-lgvregion - langevin_regions-1.inp -34.28350497029996 OK ( 0.77 sec) - langevin_regions-2.inp -34.29678091854694 OK ( 0.71 sec) - langevin_regions-3.inp -34.28350497029997 OK ( 0.95 sec) - langevin_regions-4.inp -34.28727330165906 OK ( 0.86 sec) - langevin_regions-5.inp -34.36743843099326 OK ( 1.16 sec) - langevin_regions-6.inp -34.36335813030995 OK ( 1.06 sec) - langevin_regions-7.inp -34.37404120268138 OK ( 1.14 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-md-lgvregion (24 of 51) done in 11.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hirshfeld (25 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-md-lgvregion + langevin_regions-1.inp -34.28350497029996 OK ( 0.75 sec) + langevin_regions-2.inp -34.29678091854695 OK ( 0.83 sec) + langevin_regions-3.inp -34.28350497029996 OK ( 0.85 sec) + langevin_regions-4.inp -34.28727330165907 OK ( 0.82 sec) + langevin_regions-5.inp -34.36743843099325 OK ( 1.03 sec) + langevin_regions-6.inp -34.36335813030995 OK ( 25.28 sec) + langevin_regions-7.inp -34.37404120268137 OK ( 19.33 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-md-lgvregion (24 of 51) done in 55.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hirshfeld (25 of 51) Running htest_1.inp Running htest_2.inp Running htest_3.inp @@ -65156,32 +65192,32 @@ Running hlsd_7.inp Running hlsd_8.inp Running hlsd_9.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hirshfeld - htest_1.inp -17.14603641519600 OK ( 0.27 sec) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hirshfeld + htest_1.inp -17.14603641519601 OK ( 0.25 sec) htest_2.inp -17.14603641519601 OK ( 0.24 sec) - htest_3.inp -17.14603641519600 OK ( 0.30 sec) + htest_3.inp -17.14603641519601 OK ( 0.25 sec) htest_4.inp -17.14603641519601 OK ( 0.24 sec) - htest_5.inp -17.14603641519601 OK ( 0.24 sec) - htest_6.inp -17.14603641519601 OK ( 0.28 sec) - htest_7.inp -17.13771713041177 OK ( 0.30 sec) - htest_8.inp -17.13771713041178 OK ( 0.30 sec) - htest_9.inp -17.13771713041175 OK ( 0.39 sec) - hlsd_1.inp -16.81101156813314 OK ( 0.52 sec) - hlsd_2.inp -16.81101156813313 OK ( 0.49 sec) - hlsd_3.inp -16.81101156813313 OK ( 0.42 sec) - hlsd_4.inp -16.81101156813313 OK ( 0.42 sec) - hlsd_5.inp -16.81101156813313 OK ( 0.50 sec) - hlsd_6.inp -16.80070757658131 OK ( 0.69 sec) - hlsd_7.inp -16.80070757658130 OK ( 0.51 sec) - hlsd_8.inp -16.80070757658130 OK ( 0.57 sec) - hlsd_9.inp -16.80070757658131 OK ( 0.55 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hirshfeld (25 of 51) done in 17.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-almo-eda (26 of 51) + htest_5.inp -17.14603641519600 OK ( 0.25 sec) + htest_6.inp -17.14603641519601 OK ( 0.32 sec) + htest_7.inp -17.13771713041174 OK ( 0.30 sec) + htest_8.inp -17.13771713041176 OK ( 0.30 sec) + htest_9.inp -17.13771713041176 OK ( 0.35 sec) + hlsd_1.inp -16.81101156813313 OK ( 0.41 sec) + hlsd_2.inp -16.81101156813314 OK ( 0.48 sec) + hlsd_3.inp -16.81101156813313 OK ( 3.18 sec) + hlsd_4.inp -16.81101156813313 OK ( 2.33 sec) + hlsd_5.inp -16.81101156813313 OK ( 2.41 sec) + hlsd_6.inp -16.80070757658128 OK ( 2.23 sec) + hlsd_7.inp -16.80070757658130 OK ( 0.52 sec) + hlsd_8.inp -16.80070757658130 OK ( 0.58 sec) + hlsd_9.inp -16.80070757658129 OK ( 0.62 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hirshfeld (25 of 51) done in 29.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-almo-eda (26 of 51) Running almo-eda-x.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-almo-eda - almo-eda-x.inp -85.963743073058509 OK ( 14.01 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-almo-eda (26 of 51) done in 15.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-gpw-2-1 (27 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-almo-eda + almo-eda-x.inp -85.963743073058509 OK ( 6.30 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-almo-eda (26 of 51) done in 7.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-gpw-2-1 (27 of 51) Running H2-vib.inp Running H2-vib_tc.inp Running N2_raman.inp @@ -65191,31 +65227,31 @@ Running ZrO.inp Running Ar-12.inp Running Ar-13.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-gpw-2-1 - H2-vib.inp 3855.524137 OK ( 3.61 sec) - H2-vib_tc.inp -5.75148845 OK ( 3.25 sec) - N2_raman.inp 2662.743559 OK ( 10.58 sec) - H2O-2.inp -17.14619644944912 OK ( 0.64 sec) - H2O-3.inp -17.14553123442894 OK ( 0.67 sec) - H2O-4.inp -17.14677584577026 OK ( 0.52 sec) - ZrO.inp -62.20561057734395 OK ( 0.36 sec) - Ar-12.inp -21.04251999575907 OK ( 0.52 sec) - Ar-13.inp -21.12624107439710 OK ( 0.65 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-gpw-2-1 (27 of 51) done in 27.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-gapw-2 (28 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-gpw-2-1 + H2-vib.inp 3855.524137 OK ( 2.56 sec) + H2-vib_tc.inp -5.75148845 OK ( 2.85 sec) + N2_raman.inp 2662.743559 OK ( 12.77 sec) + H2O-2.inp -17.14619644944912 OK ( 0.48 sec) + H2O-3.inp -17.14553123442894 OK ( 0.55 sec) + H2O-4.inp -17.14677584577025 OK ( 0.55 sec) + ZrO.inp -62.20561057734395 OK ( 0.40 sec) + Ar-12.inp -21.04251999575907 OK ( 0.48 sec) + Ar-13.inp -21.12624107439710 OK ( 1.43 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-gpw-2-1 (27 of 51) done in 27.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-gapw-2 (28 of 51) Running Li-ROKS.inp Running NO2-ROKS.inp Running C-levelshift.inp Running H2-pbe-restart-run.inp Running H2-pbe-restart-rerun.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-gapw-2 - Li-ROKS.inp -7.33891040994163 OK ( 1.03 sec) - NO2-ROKS.inp -203.77833570926862 OK ( 1.87 sec) - C-levelshift.inp -37.44694658478308 OK ( 0.72 sec) - H2-pbe-restart-run.inp -0.60698327541571 OK ( 2.94 sec) - H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 0.84 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-gapw-2 (28 of 51) done in 11.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-dm-ls-scf-4 (29 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-gapw-2 + Li-ROKS.inp -7.33891040994163 OK ( 0.77 sec) + NO2-ROKS.inp -203.77833570926867 OK ( 1.62 sec) + C-levelshift.inp -37.44694658478308 OK ( 0.71 sec) + H2-pbe-restart-run.inp -0.60698327541571 OK ( 2.59 sec) + H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 0.70 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-gapw-2 (28 of 51) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-dm-ls-scf-4 (29 of 51) Running H2O-dft-ls-DEFAULTS.inp Running H2O-dft-ls-NEWTONSCHULZ.inp Running H2O-dft-ls-PROOT3.inp @@ -65232,52 +65268,52 @@ Running H2O-dft-ls-SUBMATRIX-DIRECT.inp Running H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp Running H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-dm-ls-scf-4 - H2O-dft-ls-DEFAULTS.inp -17.031737705912363 OK ( 0.56 sec) - H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912363 OK ( 0.51 sec) - H2O-dft-ls-PROOT3.inp -17.031737715859997 OK ( 0.47 sec) - H2O-dft-ls-PROOT4.inp -17.031737702677940 OK ( 0.48 sec) - H2O-dft-ls-PROOT5.inp -17.031737600352223 OK ( 0.47 sec) - H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156235 OK ( 0.54 sec) - H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156239 OK ( 0.47 sec) - H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156235 OK ( 0.61 sec) - H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156164 OK ( 0.51 sec) - H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162676 OK ( 1.45 sec) - H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912363 OK ( 0.52 sec) - H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912363 OK ( 0.47 sec) - H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156239 OK ( 0.46 sec) - H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156235 OK ( 0.43 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156242 OK ( 0.49 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156235 OK ( 0.46 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-dm-ls-scf-4 (29 of 51) done in 18.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-all-electron (30 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-dm-ls-scf-4 + H2O-dft-ls-DEFAULTS.inp -17.031737705912363 OK ( 0.43 sec) + H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912363 OK ( 0.38 sec) + H2O-dft-ls-PROOT3.inp -17.031737715859997 OK ( 0.42 sec) + H2O-dft-ls-PROOT4.inp -17.031737702677940 OK ( 0.57 sec) + H2O-dft-ls-PROOT5.inp -17.031737600352219 OK ( 1.94 sec) + H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156235 OK ( 0.98 sec) + H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156239 OK ( 0.82 sec) + H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156239 OK ( 0.40 sec) + H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156161 OK ( 0.46 sec) + H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162673 OK ( 0.54 sec) + H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912363 OK ( 0.40 sec) + H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912359 OK ( 0.68 sec) + H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156235 OK ( 0.76 sec) + H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156235 OK ( 0.39 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156235 OK ( 0.40 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156235 OK ( 0.44 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-dm-ls-scf-4 (29 of 51) done in 19.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-all-electron (30 of 51) Running H2O-xrd.inp Running H2O-rhotot-cube.inp Running NO2-rhotot-cube.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-all-electron - H2O-xrd.inp -9.9999991403 OK ( 1.05 sec) - H2O-rhotot-cube.inp -9.9999990366 OK ( 1.98 sec) - NO2-rhotot-cube.inp -1.0000002244 OK ( 5.15 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-all-electron (30 of 51) done in 11.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-double-hybrid-2 (31 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-all-electron + H2O-xrd.inp -9.9999991403 OK ( 1.09 sec) + H2O-rhotot-cube.inp -9.9999990366 OK ( 1.67 sec) + NO2-rhotot-cube.inp -1.0000002244 OK ( 4.98 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-all-electron (30 of 51) done in 10.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-double-hybrid-2 (31 of 51) Running H2O_B2GPPLYP.inp Running H2O_DSD-BLYP.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-double-hybrid-2 - H2O_B2GPPLYP.inp -76.279036985508753 OK ( 2.29 sec) - H2O_DSD-BLYP.inp -76.311305833143166 OK ( 2.41 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-double-hybrid-2 (31 of 51) done in 7.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hybrid-1 (32 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-double-hybrid-2 + H2O_B2GPPLYP.inp -76.279036985508796 OK ( 2.21 sec) + H2O_DSD-BLYP.inp -76.311305833143166 OK ( 2.51 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-double-hybrid-2 (31 of 51) done in 7.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hybrid-1 (32 of 51) Running H2O-hybrid-bhandh.inp Running H2O-hybrid-bhandhlyp.inp Running H2O-hybrid-pbe0.inp Running H2O-hybrid-b3lyp.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hybrid-1 - H2O-hybrid-bhandh.inp -75.90482120088635 OK ( 1.42 sec) - H2O-hybrid-bhandhlyp.inp -76.33558053104213 OK ( 1.47 sec) - H2O-hybrid-pbe0.inp -76.31995335312708 OK ( 1.63 sec) - H2O-hybrid-b3lyp.inp -76.37338940401882 OK ( 1.41 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-hybrid-1 (32 of 51) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/FARMING/regtest-1 (33 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hybrid-1 + H2O-hybrid-bhandh.inp -75.90482120088633 OK ( 1.32 sec) + H2O-hybrid-bhandhlyp.inp -76.33558053104213 OK ( 1.45 sec) + H2O-hybrid-pbe0.inp -76.31995335312709 OK ( 1.46 sec) + H2O-hybrid-b3lyp.inp -76.37338940401878 OK ( 1.51 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-hybrid-1 (32 of 51) done in 8.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/FARMING/regtest-1 (33 of 51) Running farming-1.inp Running farming-2.inp Running farming-3.inp @@ -65287,47 +65323,47 @@ Running farming-7.inp Running farming-8.inp Running farming-9.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/FARMING/regtest-1 - farming-1.inp - OK ( 0.59 sec) - farming-2.inp - OK ( 0.59 sec) - farming-3.inp - OK ( 0.64 sec) - farming-4.inp - OK ( 0.54 sec) - farming-5.inp - OK ( 1.82 sec) - farming-6.inp - OK ( 2.83 sec) - farming-7.inp - OK ( 3.48 sec) - farming-8.inp - OK ( 3.44 sec) - farming-9.inp - OK ( 0.76 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/FARMING/regtest-1 (33 of 51) done in 21.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-nmr-2 (34 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/FARMING/regtest-1 + farming-1.inp - OK ( 0.61 sec) + farming-2.inp - OK ( 0.69 sec) + farming-3.inp - OK ( 0.62 sec) + farming-4.inp - OK ( 0.61 sec) + farming-5.inp - OK ( 0.68 sec) + farming-6.inp - OK ( 0.47 sec) + farming-7.inp - OK ( 0.64 sec) + farming-8.inp - OK ( 0.55 sec) + farming-9.inp - OK ( 0.11 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/FARMING/regtest-1 (33 of 51) done in 10.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-nmr-2 (34 of 51) Running He_nmr_full.inp Running he2_bug_disp.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-nmr-2 - He_nmr_full.inp 0.198893E+03 OK ( 9.10 sec) - he2_bug_disp.inp 0.144732E+03 OK ( 1.50 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-nmr-2 (34 of 51) done in 14.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-cdft-3-1 (35 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-nmr-2 + He_nmr_full.inp 0.198893E+03 OK ( 2.95 sec) + he2_bug_disp.inp 0.144732E+03 OK ( 0.54 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-nmr-2 (34 of 51) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-cdft-3-1 (35 of 51) Running HeH-noconstraint.inp Running HeH-cdft-state-1.inp Running HeH-cdft-state-2-reversed.inp Running HeH-mixed-cdft-reversed-1.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-cdft-3-1 - HeH-noconstraint.inp -3.01067446615065 OK ( 4.45 sec) - HeH-cdft-state-1.inp 0.048406444578 OK ( 1.21 sec) - HeH-cdft-state-2-reversed.inp -1.819391902439 OK ( 1.40 sec) - HeH-mixed-cdft-reversed-1.inp 616.641603576097 OK ( 0.45 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-cdft-3-1 (35 of 51) done in 10.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-optbas (36 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-cdft-3-1 + HeH-noconstraint.inp -3.01067446615065 OK ( 0.88 sec) + HeH-cdft-state-1.inp 0.048406444545 OK ( 1.18 sec) + HeH-cdft-state-2-reversed.inp -1.819391902439 OK ( 1.28 sec) + HeH-mixed-cdft-reversed-1.inp 616.641603575692 OK ( 0.43 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-cdft-3-1 (35 of 51) done in 7.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-optbas (36 of 51) Running H2O-ref.inp Running H2-ref.inp Running opt-1.inp Running opt-2.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-optbas - H2O-ref.inp -17.02896604845327 OK ( 0.74 sec) - H2-ref.inp -1.11824989194244 OK ( 0.48 sec) - opt-1.inp -.46916008E+03 OK ( 2.36 sec) - opt-2.inp -.55279835E+03 OK ( 2.56 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-optbas (36 of 51) done in 10.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ot-refine-3 (37 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-optbas + H2O-ref.inp -17.02896604845328 OK ( 0.72 sec) + H2-ref.inp -1.11824989194244 OK ( 0.47 sec) + opt-1.inp -.46916008E+03 OK ( 2.13 sec) + opt-2.inp -.55279835E+03 OK ( 2.37 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-optbas (36 of 51) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ot-refine-3 (37 of 51) Running h2o_ot_lwdn_on_the_fly_l1.inp Running h2o_ot_poly_on_the_fly_l1.inp Running o2_ot_lwdn_on_the_fly_l1.inp @@ -65340,37 +65376,37 @@ Running h2o_ot_precond_2.inp Running h2o_ot_precond_3.inp Running h2o_ot_precond_4.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ot-refine-3 +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ot-refine-3 h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683763 OK ( 0.25 sec) - h2o_ot_poly_on_the_fly_l1.inp -17.13045715683763 OK ( 0.25 sec) - o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232900 OK ( 0.43 sec) - o2_ot_poly_on_the_fly_l1.inp -31.70815200232904 OK ( 0.42 sec) - h2o_ot_refine_3.inp -17.08884672065212 OK ( 0.19 sec) - h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.14 sec) - o2_ot_refine_3.inp -31.60858514413052 OK ( 0.25 sec) - o2_ot_refine_4.inp -31.58768162895350 OK ( 0.36 sec) - h2o_ot_precond_1.inp -16.05766867329444 OK ( 0.11 sec) - h2o_ot_precond_2.inp -16.06790080254975 OK ( 0.07 sec) - h2o_ot_precond_3.inp -16.02559849783372 OK ( 0.17 sec) + h2o_ot_poly_on_the_fly_l1.inp -17.13045715683763 OK ( 0.26 sec) + o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232904 OK ( 0.42 sec) + o2_ot_poly_on_the_fly_l1.inp -31.70815200232903 OK ( 0.42 sec) + h2o_ot_refine_3.inp -17.08884672065212 OK ( 0.18 sec) + h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.17 sec) + o2_ot_refine_3.inp -31.60858514413052 OK ( 0.26 sec) + o2_ot_refine_4.inp -31.58768162895350 OK ( 0.25 sec) + h2o_ot_precond_1.inp -16.05766867329444 OK ( 0.10 sec) + h2o_ot_precond_2.inp -16.06790080254976 OK ( 0.09 sec) + h2o_ot_precond_3.inp -16.02559849783372 OK ( 0.10 sec) h2o_ot_precond_4.inp -15.85782186391534 OK ( 0.09 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-ot-refine-3 (37 of 51) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/TAMC/regtest (38 of 51) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-ot-refine-3 (37 of 51) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/TAMC/regtest (38 of 51) Running dimer.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/TAMC/regtest - dimer.inp -31.336010759726790 OK ( 2.41 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/TAMC/regtest (38 of 51) done in 4.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/NEB/regtest-1 (39 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/TAMC/regtest + dimer.inp -31.336010764992452 OK ( 2.28 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/TAMC/regtest (38 of 51) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/NEB/regtest-1 (39 of 51) Running 2gly_B-NEB.inp Running 2gly_CI-NEB.inp Running 2gly_EB-NEB.inp Running 2gly_IT-NEB.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/NEB/regtest-1 - 2gly_B-NEB.inp -0.25722568775215 OK ( 0.65 sec) - 2gly_CI-NEB.inp -0.18925537289845 OK ( 0.71 sec) - 2gly_EB-NEB.inp 49.27319370382761 OK ( 0.64 sec) - 2gly_IT-NEB.inp 0.38518828458757 OK ( 0.52 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/NEB/regtest-1 (39 of 51) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/Fist/regtest-11 (40 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/NEB/regtest-1 + 2gly_B-NEB.inp -0.25722568775219 OK ( 0.64 sec) + 2gly_CI-NEB.inp -0.18925537289845 OK ( 0.64 sec) + 2gly_EB-NEB.inp 49.27319370382761 OK ( 0.63 sec) + 2gly_IT-NEB.inp 0.38518828458757 OK ( 0.51 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/NEB/regtest-1 (39 of 51) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/Fist/regtest-11 (40 of 51) Running H2O-32_NVT_CSVR_gen1.inp Running H2O-32_NVT_CSVR_gen2.inp Running H2O-32_NVT_CSVR_gen3.inp @@ -65384,130 +65420,130 @@ Running H2O-32_NVT_NOSE_gen_noCNS2.inp Running H2O-32_NVT_NOSE_gen_noCNS2_R.inp Running H2O-32_NVT_CSVR_gen_noCNS3.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/Fist/regtest-11 - H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.19 sec) - H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.19 sec) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/Fist/regtest-11 + H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.20 sec) + H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.20 sec) + H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.20 sec) + H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.20 sec) H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.42 sec) - H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.27 sec) - H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.22 sec) - H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.26 sec) - H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.20 sec) + H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.19 sec) + H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.22 sec) + H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.19 sec) + H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.21 sec) + H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.19 sec) H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.22 sec) - H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.22 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/Fist/regtest-11 (40 of 51) done in 11.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/SWARM/regtest-glbopt-1 (41 of 51) + H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.20 sec) + H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.20 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/Fist/regtest-11 (40 of 51) done in 10.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/SWARM/regtest-glbopt-1 (41 of 51) Running LJ10_minhop_1.inp Running LJ10_minhop_2.inp Running LJ10_mincrawl_1.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/SWARM/regtest-glbopt-1 - LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.25 sec) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/SWARM/regtest-glbopt-1 + LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.21 sec) LJ10_minhop_2.inp -0.28422123E-01 OK ( 0.16 sec) - LJ10_mincrawl_1.inp -0.28422079E-01 OK ( 4.40 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/SWARM/regtest-glbopt-1 (41 of 51) done in 7.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-properties/resp (42 of 51) + LJ10_mincrawl_1.inp -0.28422288E-01 OK ( 1.39 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/SWARM/regtest-glbopt-1 (41 of 51) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-properties/resp (42 of 51) Running CH3OH_nonperiodic.inp Running CH3OH_periodic.inp Running graphite.inp Running CH3OH_periodic_repeat.inp Running graphite_REPEAT.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-properties/resp - CH3OH_nonperiodic.inp 4.418290 OK ( 0.35 sec) - CH3OH_periodic.inp 2.456029 OK ( 0.33 sec) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-properties/resp + CH3OH_nonperiodic.inp 4.418290 OK ( 0.37 sec) + CH3OH_periodic.inp 2.456029 OK ( 0.29 sec) graphite.inp -1.073313 OK ( 0.61 sec) - CH3OH_periodic_repeat.inp -4.871712 OK ( 0.38 sec) - graphite_REPEAT.inp 0.006058 OK ( 0.63 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-properties/resp (42 of 51) done in 6.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-pao-3 (43 of 51) + CH3OH_periodic_repeat.inp -4.871712 OK ( 0.23 sec) + graphite_REPEAT.inp 0.006058 OK ( 0.61 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-properties/resp (42 of 51) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-pao-3 (43 of 51) Running He_ref.inp Running He_pao_initguess_exp.inp Running He_pao_initguess_fock.inp Running He_pao_initguess_rotinv.inp Running He_pao_initguess_gth.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-pao-3 - He_ref.inp -2.889334869153457 OK ( 0.49 sec) - He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.40 sec) - He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.29 sec) - He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.29 sec) - He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.34 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-pao-3 (43 of 51) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/optimize_input/regtest-1 (44 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-pao-3 + He_ref.inp -2.889334869153457 OK ( 0.53 sec) + He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.34 sec) + He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.34 sec) + He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.35 sec) + He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.37 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-pao-3 (43 of 51) done in 5.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/optimize_input/regtest-1 (44 of 51) Running argon-ref.inp Running driver.inp Running driver-restart.inp Running driver-stride.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/optimize_input/regtest-1 - argon-ref.inp - OK ( 0.10 sec) - driver.inp 0.1072347063760515E+03 OK ( 0.42 sec) - driver-restart.inp 0.1076965059321588E+03 OK ( 0.52 sec) - driver-stride.inp 0.1072343388958499E+03 OK ( 0.19 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/optimize_input/regtest-1 (44 of 51) done in 3.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/FE/regtest-2 (45 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/optimize_input/regtest-1 + argon-ref.inp - OK ( 0.05 sec) + driver.inp 0.1072347063760515E+03 OK ( 0.27 sec) + driver-restart.inp 0.1076965059321591E+03 OK ( 0.50 sec) + driver-stride.inp 0.1072343388958499E+03 OK ( 0.16 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/optimize_input/regtest-1 (44 of 51) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/FE/regtest-2 (45 of 51) Running Solv_alch_chng.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/FE/regtest-2 - Solv_alch_chng.inp -0.732003926645E+01 OK ( 2.36 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/FE/regtest-2 (45 of 51) done in 4.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-lsroks (46 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/FE/regtest-2 + Solv_alch_chng.inp -0.732003926645E+01 OK ( 2.40 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/FE/regtest-2 (45 of 51) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-lsroks (46 of 51) Running O2.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-lsroks - O2.inp -31.43642997434282 OK ( 1.18 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-lsroks (46 of 51) done in 3.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-linearscaling (47 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-lsroks + O2.inp -31.43642997434286 OK ( 1.17 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-lsroks (46 of 51) done in 3.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-linearscaling (47 of 51) Running test-shrt.inp Running w3-filter.inp Running w3-filter-2.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-linearscaling - test-shrt.inp - OK ( 0.50 sec) - w3-filter.inp -51.14051793253209 OK ( 0.49 sec) - w3-filter-2.inp -78.30555080313516 OK ( 0.21 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-linearscaling (47 of 51) done in 3.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/SE/regtest-3-1 (48 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-linearscaling + test-shrt.inp - OK ( 0.35 sec) + w3-filter.inp -51.14051793253208 OK ( 0.50 sec) + w3-filter-2.inp -78.30555080313518 OK ( 0.17 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-linearscaling (47 of 51) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/SE/regtest-3-1 (48 of 51) Running H2O-MNDO-2.inp Running H-0.inp Running H2-0.inp Running H2.inp Running H2O-MNDO.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/SE/regtest-3-1 - H2O-MNDO-2.inp -351.42145109555833 OK ( 0.16 sec) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/SE/regtest-3-1 + H2O-MNDO-2.inp -351.42145109555833 OK ( 0.15 sec) H-0.inp -0.319258384771667 OK ( 0.04 sec) H2-0.inp -0.993280881213762 OK ( 0.09 sec) H2.inp -0.037305167769230 OK ( 0.07 sec) - H2O-MNDO.inp -12.913048351744976 OK ( 0.62 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/SE/regtest-3-1 (48 of 51) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-lrigpw (49 of 51) + H2O-MNDO.inp -12.913048351744976 OK ( 0.37 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/SE/regtest-3-1 (48 of 51) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-lrigpw (49 of 51) Running C11H24-qmmm-gauss-0-lrigpw.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-lrigpw - C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097700 OK ( 1.30 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QMMM/QS/regtest-lrigpw (49 of 51) done in 3.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-fftw (50 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-lrigpw + C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097463 OK ( 0.85 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QMMM/QS/regtest-lrigpw (49 of 51) done in 2.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-fftw (50 of 51) Running H2-big-1.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-fftw - H2-big-1.inp -28.149134408985862 OK ( 0.77 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-fftw (50 of 51) done in 2.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-elpa (51 of 51) +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-fftw + H2-big-1.inp -28.149134408985855 OK ( 0.63 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-fftw (50 of 51) done in 2.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-elpa (51 of 51) Running H2O-6.inp ->>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-elpa - H2O-6.inp -17.14603641519601 OK ( 0.30 sec) -<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/tests/QS/regtest-elpa (51 of 51) done in 2.00 sec +>>> /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-elpa + H2O-6.inp -17.14603641519600 OK ( 0.25 sec) +<<< /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/tests/QS/regtest-elpa (51 of 51) done in 2.00 sec -------------------------------------------------------------------------- -------------------------------------------------------------------------- - regtesting location summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2024-01-08_06-42-36 + regtesting location summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-02-09_13-45-16 regtesting location last dir: /build/reproducible-path/cp2k-2023.1/tools/regtesting/../..//LAST-Linux-aarch64-gfortran-psmp --------------------------------- Timings -------------------------------- Plot: name="timings", title="Timing Distribution", ylabel="time [s]" -PlotPoint: name="100th_percentile", plot="timings", label="100th %ile", y=103.05, yerr=0.0 -PlotPoint: name="99th_percentile", plot="timings", label="99th %ile", y=41.0202, yerr=0.0 -PlotPoint: name="98th_percentile", plot="timings", label="98th %ile", y=29.461999999999982, yerr=0.0 -PlotPoint: name="95th_percentile", plot="timings", label="95th %ile", y=14.989999999999991, yerr=0.0 -PlotPoint: name="90th_percentile", plot="timings", label="90th %ile", y=8.694000000000008, yerr=0.0 -PlotPoint: name="80th_percentile", plot="timings", label="80th %ile", y=3.5980000000000003, yerr=0.0 +PlotPoint: name="100th_percentile", plot="timings", label="100th %ile", y=48.53, yerr=0.0 +PlotPoint: name="99th_percentile", plot="timings", label="99th %ile", y=42.164599999999986, yerr=0.0 +PlotPoint: name="98th_percentile", plot="timings", label="98th %ile", y=28.3996, yerr=0.0 +PlotPoint: name="95th_percentile", plot="timings", label="95th %ile", y=20.652999999999995, yerr=0.0 +PlotPoint: name="90th_percentile", plot="timings", label="90th %ile", y=13.399999999999999, yerr=0.0 +PlotPoint: name="80th_percentile", plot="timings", label="80th %ile", y=5.748, yerr=0.0 --------------------------------- Summary -------------------------------- Number of FAILED tests 0 @@ -65516,13 +65552,13 @@ Total number of tests 407 GREPME 0 0 407 0 407 X -Summary: correct: 407 / 407; 26min +Summary: correct: 407 / 407; 34min Status: OK -------------------------------------------------------------------------- -Regtest took 1588.00 seconds. +Regtest took 2051.00 seconds. -------------------------------------------------------------------------- -Mon Jan 8 07:09:03 2024 +Sun Feb 9 14:19:26 2025 *************************** testing ended ******************************** make[1]: Leaving directory '/build/reproducible-path/cp2k-2023.1' create-stamp debian/debhelper-build-stamp @@ -65558,9 +65594,9 @@ dpkg-gencontrol: warning: Depends field of package cp2k-data: substitution variable ${shlibs:Depends} used, but is not defined dh_md5sums dh_builddeb -dpkg-deb: building package 'cp2k' in '../cp2k_2023.1-2_arm64.deb'. -dpkg-deb: building package 'cp2k-data' in '../cp2k-data_2023.1-2_all.deb'. dpkg-deb: building package 'cp2k-dbgsym' in '../cp2k-dbgsym_2023.1-2_arm64.deb'. +dpkg-deb: building package 'cp2k-data' in '../cp2k-data_2023.1-2_all.deb'. +dpkg-deb: building package 'cp2k' in '../cp2k_2023.1-2_arm64.deb'. dpkg-genbuildinfo --build=binary -O../cp2k_2023.1-2_arm64.buildinfo dpkg-genchanges --build=binary -O../cp2k_2023.1-2_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -65568,12 +65604,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/1567470/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1567470/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/3614462 and its subdirectories -I: Current time: Sun Jan 7 19:11:05 -12 2024 -I: pbuilder-time-stamp: 1704697865 +I: removing directory /srv/workspace/pbuilder/1567470 and its subdirectories +I: Current time: Mon Feb 10 04:21:19 +14 2025 +I: pbuilder-time-stamp: 1739110879